![4-cyano-3-keto-1,2,4a,5,6,7,8,8a-octahydrocyclopent[a]indene-4-carboxylic acid ethyl ester](/api/spectrum/Fczl02ohfhS/structure.png?h=300&w=458 "4-cyano-3-keto-1,2,4a,5,6,7,8,8a-octahydrocyclopent[a]indene-4-carboxylic acid ethyl ester")
| SpectraBase Compound ID | AkWPNlVIFxM |
|---|---|
| InChI | InChI=1S/C16H19NO3/c1-2-20-15(19)16(9-17)12-6-4-3-5-10(12)11-7-8-13(18)14(11)16/h10,12H,2-8H2,1H3 |
| InChIKey | WVPKERJOACDQOZ-UHFFFAOYSA-N |
| Mol Weight | 273.33 g/mol |
| Molecular Formula | C16H19NO3 |
| Exact Mass | 273.136493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fczl02ohfhS |
|---|---|
| Name | 4-cyano-3-keto-1,2,4a,5,6,7,8,8a-octahydrocyclopent[a]indene-4-carboxylic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19NO3 |
| InChI | InChI=1S/C16H19NO3/c1-2-20-15(19)16(9-17)12-6-4-3-5-10(12)11-7-8-13(18)14(11)16/h10,12H,2-8H2,1H3 |
| InChIKey | WVPKERJOACDQOZ-UHFFFAOYSA-N |
| Molecular Weight | 273.332 g/mol |
| SMILES | C1CCCC2C1C=1CCC(C1C2(C#N)C(=O)OCC)=O |
| SPLASH | splash10-0fi0-5940000000-51c103c83451281c6438 |
| Source of Spectrum | CM-1999-27132-0 |
| Synonyms | Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2.beta.-carboethoxy-2.alpha.-cyano- (mixture of isomers) Tricyclo[7.3.0.0e3,8]dodec-1(9)-en-12-on, 2-.beta.-carboethoxy-2-.alpha.-cyano- (dia 4-cyano-3-oxo-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[a]indene-4-carboxylic acid ethyl ester Ethyl 4-cyano-3-oxidanylidene-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[a]indene-4-carboxylate Ethyl 4-cyano-3-oxo-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[a]indene-4-carboxylate Ethyl 8-cyano-1-oxo-1,2,3,3b,4,5,6,7,7a,8-decahydrocyclopenta[a]indene-8-carboxylate Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2.alpha.-carboethoxy-2.beta.-cyano-, cis- Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2.beta.-carboethoxy-2.alpha.-cyano- |
| Wiley ID | 489486 |