| SpectraBase Spectrum ID |
9H0i1caLj3U |
| Name |
Sebacic acid, but-3-enyl isohexyl 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/c1-4-5-16-23-19(21)14-10-8-6-7-9-11-15-20(22)24-17-12-13-18(2)3/h4,18H,1,5-17H2,2-3H3 |
| InChIKey |
WZPJASHKSZBULY-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCOC(CCCCCCCCC(OCCCC(C)C)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853061 |
