| SpectraBase Spectrum ID |
BMnvIE8YtDd |
| Name |
(Z,E,)-Octadeca-9,13-dienoic acid, picolinyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.282429433 u |
| Formula |
C24H37NO2 |
| InChI |
InChI=1S/C24H37NO2/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/h5-6,9-10,17-18,20-21H,2-4,7-8,11-16,19,22H2,1H3/b6-5+,10-9- |
| InChIKey |
TYLRGNGGUDGTIF-QMRMAQATSA-N |
| Molecular Weight |
371.565 g/mol |
| SMILES |
C1=CN=CC(=C1)COC(=O)CCCCCCC\C=C/CC\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958055 |
