| SpectraBase Spectrum ID |
9C3jgar9ulA |
| Name |
cis-13-Octadecenoic acid, picolinyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.298079498 u |
| Formula |
C24H39NO2 |
| InChI |
InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h5-6,17-18,20-21H,2-4,7-16,19,22H2,1H3/b6-5- |
| InChIKey |
ZVJYPIYQJKXDJB-WAYWQWQTSA-N |
| Molecular Weight |
373.581 g/mol |
| SMILES |
C(=O)(OCC1=CN=CC=C1)CCCCCCCCCCC\C=C/CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924074 |
