SpectraBase Spectrum ID |
136yM5veodh |
Name |
9-Eicosenoic acid, (Z)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.287180462 u |
Formula |
C20H38O2 |
InChI |
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11- |
InChIKey |
LQJBNNIYVWPHFW-QXMHVHEDSA-N |
Molecular Weight |
310.522 g/mol |
SMILES |
CCCCCCCCCC\C=C/CCCCCCCC(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974239 |