| SpectraBase Spectrum ID |
Ccv3a8i7RnF |
| Name |
12,15-Octadecadienoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.303164879 u |
| Formula |
C22H39NO |
| InChI |
InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h5-6,8-9H,4,7,10-20H2,1-3H3/b6-5-,9-8- |
| InChIKey |
QQYYPLQYOMFKMU-AFJQJTPPSA-N |
| Molecular Weight |
333.560 g/mol |
| SMILES |
C=1(CCCCCCCCCC\C=C/C\C=C/CC)OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905294 |
