| SpectraBase Spectrum ID |
BbkMm4zrb38 |
| Name |
Succinic acid, dec-4-enyl heptyl 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/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h10-11H,3-9,12-19H2,1-2H3/b11-10+ |
| InChIKey |
ZJNYOKMSFHXWEZ-ZHACJKMWSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
CCCCC\C=C\CCCOC(CCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906799 |
