| SpectraBase Spectrum ID |
6PdGyfpA02F |
| Name |
9-Octadecenoic acid (Z)-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.349780719 u |
| Formula |
C24H46O2 |
| InChI |
InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3/b14-13- |
| InChIKey |
FIENEGBWDWHXGG-YPKPFQOOSA-N |
| Molecular Weight |
366.630 g/mol |
| SMILES |
C(C(OCCCCCC)=O)CCCCCC\C=C/CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951141 |
