| SpectraBase Spectrum ID |
7GjBbdXmoTm |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, oct-3-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.240230268 u |
| Formula |
C17H32O2 |
| InChI |
InChI=1S/C17H32O2/c1-7-8-9-10-11-15(3)19-16(18)12-14(2)13-17(4,5)6/h10-11,14-15H,7-9,12-13H2,1-6H3/b11-10+ |
| InChIKey |
NSCGWDUQAUOFFR-ZHACJKMWSA-N |
| SMILES |
C(CC(OC(\C=C\CCCC)C)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986588 |
