| SpectraBase Spectrum ID |
5LKLutZccy2 |
| Name |
E-11-Hexadecenoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h7-8H,3-6,9-17H2,1-2H3/b8-7+ |
| InChIKey |
ORDVGMQAZDTLDF-BQYQJAHWSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
CCCC\C=C\CCCCCCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869985 |
