| SpectraBase Spectrum ID |
HQQkFjBNoVX |
| Name |
(E)-3-Hexyl-3-dodecenoic acid ethyl 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/c1-4-7-9-11-12-13-15-17-19(16-14-10-8-5-2)18-20(21)22-6-3/h17H,4-16,18H2,1-3H3/b19-17+ |
| InChIKey |
KNKVYBLTKGSEGT-HTXNQAPBSA-N |
| Molecular Weight |
310.522 g/mol |
| SMILES |
C(=O)(C\C(=C\CCCCCCCC)CCCCCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958149 |
