| SpectraBase Spectrum ID |
EH1WuRa0E6P |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, undec-2-en-1-yl 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/c1-6-7-8-9-10-11-12-13-14-15-22-19(21)16-18(2)17-20(3,4)5/h13-14,18H,6-12,15-17H2,1-5H3/b14-13+ |
| InChIKey |
VTNXLIHCQGNOCF-BUHFOSPRSA-N |
| Molecular Weight |
310.522 g/mol |
| SMILES |
C(CC(OC\C=C\CCCCCCCC)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949115 |
