| SpectraBase Spectrum ID |
9EMecPAEMrB |
| Name |
HEPTADECA-1,6,11,16-TETRAEN-9-CARBOXYLIC ACID, 9-CYANO-, METHYL ESTER (cis/trans-ISOMER) |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C20H29NO2 |
| InChI |
InChI=1S/C20H29NO2/c1-4-6-8-10-12-14-16-20(18-21,19(22)23-3)17-15-13-11-9-7-5-2/h4-5,12-15H,1-2,6-11,16-17H2,3H3/b14-12+,15-13+ |
| InChIKey |
QGRBSQQWMKGWRK-QUMQEAAQSA-N |
| Instrument Name |
CH7 |
| Molecular Weight |
315.2191 |
| SMILES |
C=CCCC\C=C\CC(C\C=C\CCCC=C)(C#N)C(OC)=O |
| SPLASH |
splash10-0aor-9300000000-7d2c08d95c800c32923c |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
