| SpectraBase Spectrum ID |
2B67ebNOI5c |
| Name |
cis-9-Hexadecenoic acid, isobutyl ester |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h9-10,19H,4-8,11-18H2,1-3H3/b10-9- |
| InChIKey |
UYAPXQFCVUAMKO-KTKRTIGZSA-N |
| Molecular Weight |
310.522 g/mol |
| SMILES |
C(CCC(OCC(C)C)=O)CCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979974 |
