| SpectraBase Spectrum ID |
ALr8ym2wSEw |
| Name |
Sebacic acid, isohexyl 3-methylbut-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-18(2)12-11-16-24-20(22)13-9-7-5-6-8-10-14-21(23)25-17-15-19(3)4/h15,18H,5-14,16-17H2,1-4H3 |
| InChIKey |
VYELUPAGBKCHEF-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCC(C)C)=O)(OCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946446 |
