| SpectraBase Spectrum ID |
D5ff6nAMrns |
| Name |
7-Hydroxy-17-oxo-9-cis-octadecanoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-17(20)13-9-6-4-3-5-7-10-14-18(21)15-11-8-12-16-19(22)23-2/h7,10,18,21H,3-6,8-9,11-16H2,1-2H3/b10-7- |
| InChIKey |
WWLMYAVSVMCUGF-YFHOEESVSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(=O)(CCCCCC\C=C/CC(CCCCCC(=O)OC)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979432 |
