| SpectraBase Spectrum ID |
3vluubBmzxi |
| Name |
Sebacic acid, but-2-enyl pentyl 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/h4,6H,3,5,7-17H2,1-2H3/b6-4+ |
| InChIKey |
XUPKPXVFKSUKBD-GQCTYLIASA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896064 |
