| SpectraBase Spectrum ID |
L239B4SKbuH |
| Name |
5,9-Heptadecadienoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.287514814 u |
| Formula |
C21H37NO |
| InChI |
InChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h10-11,14-15H,4-9,12-13,16-19H2,1-3H3/b11-10-,15-14- |
| InChIKey |
XBVDEAPNMKALQA-JPTBNZNUSA-N |
| Molecular Weight |
319.533 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)CCC\C=C/CC\C=C/CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963454 |
