| SpectraBase Spectrum ID |
S98LiXHlZi |
| Name |
Sebacic acid, butyl trans-3-hexenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+ |
| InChIKey |
ADWMIMLGRNNQJH-FNORWQNLSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
CC\C=C\CCOC(CCCCCCCCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981755 |
