Journal of the American Chemical Society - 6333 compounds - page 35
| 2-pentylbenzoic acid | ||
|---|---|---|
Molecular Formula: |
C12H16O2 |
|
Molecular Weight: |
192.258 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
JCYPDKSGYHGCCY-NDKGDYFDCE |
|
| phenyl(2,2,3,3-tetramethyl-1-phenylcyclopropyl)methanone | ||
Molecular Formula: |
C20H22O |
|
Molecular Weight: |
278.394 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
BKYVUZGRCMLMMM-UHFFFAOYAK |
|
| 2,2,3,3-tetramethyl-4,5-diphenyl-2,3-dihydrofuran | ||
Molecular Formula: |
C20H22O |
|
Molecular Weight: |
278.394 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
RQWRTJCZHIUPNJ-UHFFFAOYAA |
|
| 3,3,4-trimethyl-1,2-diphenyl-4-penten-1-one | ||
Molecular Formula: |
C20H22O |
|
Molecular Weight: |
278.394 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
KUBQYVNBGROLOW-UHFFFAOYAH |
|
| 2,4,5-triphenyl-1,3-oxazole | ||
Molecular Formula: |
C21H15NO |
|
Molecular Weight: |
297.356 g/mol |
|
Cas Number: |
573-34-2 |
|
InChIKey: |
WKHQADGJXFRQJD-UHFFFAOYAV |
|
| (2Z)-1-chloro-2-heptene | ||
Molecular Formula: |
C7H13Cl |
|
Molecular Weight: |
132.633 g/mol |
|
Cas Number: |
68703-33-3 |
|
InChIKey: |
LOBQTAYIGUBNDX-WAYWQWQTBU |
|
| N-[2-(3-chlorobutyl)phenyl]benzamide | ||
Molecular Formula: |
C17H18ClNO |
![N-[2-(3-chlorobutyl)phenyl]benzamide](/molimg/1/small/6/6012.gif)
|
Molecular Weight: |
287.789 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
KUFQQBAYWCHZKO-LILDFLRNCE |
|
| N-[2-[(E)-but-2-enyl]-phenyl]-benzamide | ||
Molecular Formula: |
C17H17NO |
![N-[2-[(E)-but-2-enyl]-phenyl]-benzamide](/molimg/1/small/6/6013.gif)
|
Molecular Weight: |
251.328 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
XAISQHFMUUPPOK-ZJDQSOSTDX |
|
| (5E)-5,6-dimethyl-1,5,9-decatriene | ||
Molecular Formula: |
C12H20 |
|
Molecular Weight: |
164.291 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
LNSBOAJCDDEYEO-VAWYXSNFBU |
|
| (5E)-5,6-dimethyl-5,9-decadienal | ||
Molecular Formula: |
C12H20O |
|
Molecular Weight: |
180.29 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
SXYNQNWVTSDRNI-VAWYXSNFBO |
|
| (4Z)-4-chloro-4-hexenyl trifluoroacetate | ||
Molecular Formula: |
C8H10ClF3O2 |
|
Molecular Weight: |
230.614 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
BTKUDFXMLAAXPZ-KXFIGUGUBD |
|
| 3,4-dihydro-2H-pyran-2-carbaldehyde | ||
Molecular Formula: |
C6H8O2 |
|
Molecular Weight: |
112.128 g/mol |
|
Cas Number: |
100-73-2 |
|
InChIKey: |
NPWYTMFWRRIFLK-UHFFFAOYAB |
|
| 2-vinyl-3,4-dihydro-2H-pyran | ||
Molecular Formula: |
C7H10O |
|
Molecular Weight: |
110.156 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
XAPCUHTYUKOCQV-UHFFFAOYAM |
|
| 3-cyclohexene-1-carbaldehyde | ||
Molecular Formula: |
C7H10O |
|
Molecular Weight: |
110.156 g/mol |
|
Cas Number: |
100-50-5 |
|
InChIKey: |
DCFDVJPDXYGCOK-UHFFFAOYAN |
|
| 1-(3-methyl-3-cyclohexen-1-yl)ethanone | ||
Molecular Formula: |
C9H14O |
|
Molecular Weight: |
138.21 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
CJERZJTXBLMROX-UHFFFAOYAH |
|
| 4-methyl-3-cyclohexene-1-carbaldehyde | ||
Molecular Formula: |
C8H12O |
|
Molecular Weight: |
124.183 g/mol |
|
Cas Number: |
61426-17-3 |
|
InChIKey: |
YPHGCKOZJCGDTF-UHFFFAOYAG |
|
| (E)-tert-butyl-(3,4-dihydro-2H-pyran-2-yl-methylene)-amine | ||
Molecular Formula: |
C10H17NO |
|
Molecular Weight: |
167.251 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
MODYJLFPDCUHSG-DHZHZOJOBD |
|
| N-tert-butyl-1-(2-methyl-3,4-dihydropyran-2-yl)methanimine | ||
Molecular Formula: |
C11H19NO |
|
Molecular Weight: |
181.278 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
KSCYDTKYDCDOKW-FMIVXFBMBX |
|
| 2-methyl-3,4-dihydro-2H-pyran-2-carbaldehyde | ||
Molecular Formula: |
C7H10O2 |
|
Molecular Weight: |
126.155 g/mol |
|
Cas Number: |
26334-42-9 |
|
InChIKey: |
GUCKSVXZYWXOCH-UHFFFAOYAY |
|
| 3-[5-(trifluoromethoxy)-1H-indol-3-yl]propanoic acid | ||
Molecular Formula: |
C12H10F3NO3 |
![3-[5-(trifluoromethoxy)-1H-indol-3-yl]propanoic acid](/molimg/1/small/6/6025.gif)
|
Molecular Weight: |
273.212 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
PRXUOPUJUJSRJF-HCKMINDGCX |
|
| mesitylene | ||
Molecular Formula: |
C9H12 |
|
Molecular Weight: |
120.194 g/mol |
|
Cas Number: |
108-67-8 |
|
InChIKey: |
AUHZEENZYGFFBQ-UHFFFAOYAK |
|
| (3Z)-4-cyclohexyl-3-buten-2-one | ||
Molecular Formula: |
C10H16O |
|
Molecular Weight: |
152.236 g/mol |
|
Cas Number: |
7152-32-1 |
|
InChIKey: |
PZJXLLHDHUDWFH-FPLPWBNLBF |
|
| 3,4-dimethylphenol | ||
Molecular Formula: |
C8H10O |
|
Molecular Weight: |
122.167 g/mol |
|
Cas Number: |
95-65-8 |
|
InChIKey: |
YCOXTKKNXUZSKD-UHFFFAOYAV |
|
| 4-ethylbenzonitrile | ||
Molecular Formula: |
C9H9N |
|
Molecular Weight: |
131.177 g/mol |
|
Cas Number: |
25309-65-3 |
|
InChIKey: |
SXFFMFAQNAFSLF-UHFFFAOYAF |
|
| 7-tert-butyl-8-oxobicyclo[4.2.0]octane-7-carbonitrile | ||
Molecular Formula: |
C13H19NO |
![7-tert-butyl-8-oxobicyclo[4.2.0]octane-7-carbonitrile](/molimg/1/small/6/6030.gif)
|
Molecular Weight: |
205.3 g/mol |
|
Cas Number: |
57681-20-6 |
|
InChIKey: |
HKXYKDXRNHMZDA-UHFFFAOYAY |
|
| 6-dimethylamino-5-oxocyclohepta-1,3,6-triene-1-carbonitrile | ||
Molecular Formula: |
C10H10N2O |
|
Molecular Weight: |
174.202 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
KSEATHSHIQHGMD-UHFFFAOYAW |
|
| 1-iodo-2-methyl-1-propene | ||
Molecular Formula: |
C4H7I |
|
Molecular Weight: |
182.004 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
INLKHEAPNAVZAJ-UHFFFAOYAH |
|
| (6E,10Z)-2,10,14-trimethyl-1,6,10,14-pentadecatetraen-3-one | ||
Molecular Formula: |
C18H28O |
|
Molecular Weight: |
260.42 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
LKYCUEKYVJKKDJ-AYSFDWTLBD |
|
| (6E,10Z)-2,10,14-trimethyl-1,6,10,14-pentadecatetraen-3-ol | ||
Molecular Formula: |
C18H30O |
|
Molecular Weight: |
262.436 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
JOTGHWCQQLMZIA-AYSFDWTLBF |
|
| 5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone | ||
Molecular Formula: |
C12H16O3 |
|
Molecular Weight: |
208.257 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
MUIPIPQBYMOXLT-UHFFFAOYAH |
|
| N-benzhydrylacetamide | ||
Molecular Formula: |
C15H15NO |
|
Molecular Weight: |
225.29 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
WEASGADRJWKQRE-WYUMXYHSCJ |
|
| (2Z)-2-benzylidene-3-thietanone | ||
Molecular Formula: |
C10H8OS |
|
Molecular Weight: |
176.239 g/mol |
|
Cas Number: |
28786-93-8 |
|
InChIKey: |
MUCLRHFDBFHRKO-POHAHGREBF |
|
| 1,3-dimethylthiepino[4,5-c]furan-5,7-dicarboxylic acid | ||
Molecular Formula: |
C12H10O5S |
![1,3-dimethylthiepino[4,5-c]furan-5,7-dicarboxylic acid](/molimg/1/small/6/6038.gif)
|
Molecular Weight: |
266.274 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
HKDMHRPQIVDVIW-YENFCIRVCV |
|
| 4-chlorobutanoic acid | ||
Molecular Formula: |
C4H7ClO2 |
|
Molecular Weight: |
122.551 g/mol |
|
Cas Number: |
627-00-9 |
|
InChIKey: |
IPLKGJHGWCVSOG-BRMMOCHJCO |
|
| cyclooctanone | ||
Molecular Formula: |
C8H14O |
|
Molecular Weight: |
126.199 g/mol |
|
Cas Number: |
502-49-8 |
|
InChIKey: |
IIRFCWANHMSDCG-UHFFFAOYAI |
|
| 2-ethoxy-5,6-dimethyl-1H-indene-3-carbonitrile | ||
Molecular Formula: |
C14H15NO |
|
Molecular Weight: |
213.279 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
HEYNHECGMHPNMP-UHFFFAOYAA |
|
| allylsulfanyl-methylene-cyclohexane | ||
Molecular Formula: |
C10H16S |
|
Molecular Weight: |
168.303 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ANPCVMFHOREQRH-UHFFFAOYAR |
|
| spiro[5.5]undec-2-en-1-one | ||
Molecular Formula: |
C11H16O |
![spiro[5.5]undec-2-en-1-one](/molimg/1/small/6/6043.gif)
|
Molecular Weight: |
164.247 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
WZXCCVIPURKOIM-UHFFFAOYAQ |
|
| Methylenecyclohexane oxide | ||
Molecular Formula: |
C7H12O |
|
Molecular Weight: |
112.172 g/mol |
|
Cas Number: |
185-70-6 |
|
InChIKey: |
VUEWYZJJYGPJDC-UHFFFAOYAA |
|
| ethyl 2-ethyl-3-oxopentanoate | ||
Molecular Formula: |
C9H16O3 |
|
Molecular Weight: |
172.224 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
MJPUHPKVTAZJOZ-UHFFFAOYAS |
|
| N-decyl-N-methylamine | ||
Molecular Formula: |
C11H25N |
|
Molecular Weight: |
171.326 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
IKVDMBQGHZVMRN-UHFFFAOYAF |
|
| 2-chlorohexanenitrile | ||
Molecular Formula: |
C6H10ClN |
|
Molecular Weight: |
131.605 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ATVDTOOBVYNLKI-UHFFFAOYAZ |
|
| 2-ethyl-3-methylpentanenitrile | ||
Molecular Formula: |
C8H15N |
|
Molecular Weight: |
125.214 g/mol |
|
Cas Number: |
29770-73-8 |
|
InChIKey: |
JFGCXMPQNHUOAQ-UHFFFAOYAN |
|
| 2,3,4,4-tetramethyl-2-pentene | ||
Molecular Formula: |
C9H18 |
|
Molecular Weight: |
126.242 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
UMIZXRWZTDPABF-UHFFFAOYAK |
|
| 4-methyl-1,1'-biphenyl | ||
Molecular Formula: |
C13H12 |
|
Molecular Weight: |
168.238 g/mol |
|
Cas Number: |
644-08-6 |
|
InChIKey: |
ZZLCFHIKESPLTH-UHFFFAOYAU |
|
| 2,5-dimethyl-1,1'-biphenyl | ||
Molecular Formula: |
C14H14 |
|
Molecular Weight: |
182.265 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ASHRVEUMINIGNW-UHFFFAOYAE |
|
| (methylsulfonimidoyl)benzene | ||
Molecular Formula: |
C7H9NOS |
|
Molecular Weight: |
155.221 g/mol |
|
Cas Number: |
60933-65-5 |
|
InChIKey: |
YFYIDTVGWCYSEO-UHFFFAOYAZ |
|
| 4-tert-Butylcyclohexylidene oxide | ||
Molecular Formula: |
C11H20O |
|
Molecular Weight: |
168.279 g/mol |
|
Cas Number: |
2815-45-4 |
|
InChIKey: |
MTVKBMPEWYZOIM-UHFFFAOYAK |
|
| 1,2-diphenylaziridine | ||
Molecular Formula: |
C14H13N |
|
Molecular Weight: |
195.264 g/mol |
|
Cas Number: |
2952-05-8 |
|
InChIKey: |
MZGVUSNPNFZFGM-UHFFFAOYAR |
|
| (Z)-2-chloroethenyl acetate | ||
Molecular Formula: |
C4H5ClO2 |
|
Molecular Weight: |
120.535 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
XYPHEDNABNFRBL-IHWYPQMZBO |
|