| SpectraBase Spectrum ID |
IgPRRH3Ulr5 |
| Name |
6.cis.,8.Trans.,12.cis.-octadecatrienoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.287514814 u |
| Formula |
C22H37NO |
| InChI |
InChI=1S/C22H37NO/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/h8-9,12-15H,4-7,10-11,16-20H2,1-3H3/b9-8-,13-12+,15-14- |
| InChIKey |
LLCPXZQWJFPADR-DYBLEKLYSA-N |
| Molecular Weight |
331.544 g/mol |
| SMILES |
C=1(CCCC\C=C/C=C/CC\C=C/CCCCC)OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940586 |
