| SpectraBase Spectrum ID |
71VNjcIV6QB |
| Name |
Hexanoic acid, 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 |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey |
FCIRXSXAXUSWOF-ZHACJKMWSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
CCCCCC(OC(C)\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988492 |
