SpectraBase Spectrum ID |
DQXrMFBTu5a |
Name |
14,17-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/h4,6-7H,1,5,8-20H2,2-3H3/b7-6- |
InChIKey |
VWGZVBMRKOOOEH-SREVYHEPSA-N |
Molecular Weight |
333.560 g/mol |
SMILES |
C(C\C=C/CC=C)CCCCCCCCCCC=1OCC(N1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924629 |