| SpectraBase Spectrum ID |
F1gQnQFHtk1 |
| Name |
(Z)-Docos-5-en-1-oic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.318480590 u |
| Formula |
C22H42O2 |
| InChI |
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h17-18H,2-16,19-21H2,1H3,(H,23,24)/b18-17- |
| InChIKey |
RFCSPHPIGYWVCG-ZCXUNETKSA-N |
| Molecular Weight |
338.576 g/mol |
| SMILES |
C(CCCC\C=C/CCCC(O)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93179 |
