| SpectraBase Spectrum ID |
5ceEBIMiZQi |
| Name |
2-Butenoic acid, 4-(1-cyano-2-oxocyclooctyl)-, methyl ester, (E)- |
| CAS Registry Number |
104891-07-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-18-13(17)8-6-10-14(11-15)9-5-3-2-4-7-12(14)16/h6,8H,2-5,7,9-10H2,1H3/b8-6+ |
| InChIKey |
YWEMGGWXPPELPD-SOFGYWHQSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C1(C#N)(C(=O)CCCCCC1)C\C=C\C(=O)OC |
| SPLASH |
splash10-0600-6930000000-d1903811002c7ca32185 |
| Source of Spectrum |
H-68-1992-5 |
| Synonyms |
Methyl (2E)-4-(1-cyano-2-oxocyclooctyl)-2-butenoate
Methyl 4-(1-cyano-2-oxocycloctyl)-2-butennoate |
| Wiley ID |
1252232 |
