SpectraBase Spectrum ID |
wyoN56libm |
Name |
11,14,17-Eicosatrienoic acid, dmox derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
359.318814943 u |
Formula |
C24H41NO |
InChI |
InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h5-6,8-9,11-12H,4,7,10,13-22H2,1-3H3/b6-5-,9-8-,12-11- |
InChIKey |
ILKIQQUKRCSUSF-AGRJPVHOSA-N |
Molecular Weight |
359.598 g/mol |
SMILES |
C=1(OCC(N1)(C)C)CCCCCCCCC\C=C/C\C=C/C\C=C/CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840816 |