| SpectraBase Spectrum ID |
2VY37E0dKWD |
| Name |
Sebacic acid, butyl pent-4-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h3H,1,4-17H2,2H3 |
| InChIKey |
HAVLQGQUEFAVFN-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCCCC(OCCCC=C)=O)CCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934145 |
