| SpectraBase Spectrum ID |
L4IY1HAL4RO |
| Name |
5,8-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/h12-13,15-16H,4-11,14,17-20H2,1-3H3/b13-12-,16-15- |
| InChIKey |
PBTTUXASHFMBHS-QGLGPCELSA-N |
| Molecular Weight |
333.560 g/mol |
| SMILES |
C=1(CCC\C=C/C\C=C/CCCCCCCCC)OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893817 |
