| SpectraBase Spectrum ID |
EWZgjv0fZDG |
| Name |
cis-10-Heptadecenoic acid, picolinyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.282429433 u |
| Formula |
C23H37NO2 |
| InChI |
InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h7-8,16-17,19-20H,2-6,9-15,18,21H2,1H3/b8-7- |
| InChIKey |
GZRCZWBAKMZKHE-FPLPWBNLSA-N |
| Molecular Weight |
359.554 g/mol |
| SMILES |
C(=O)(OCC1=CN=CC=C1)CCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975567 |
