SpectraBase Spectrum ID |
JE8YgdWUSms |
Name |
Succinic acid, 2-decyl heptyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.292659764 u |
Formula |
C21H40O4 |
InChI |
InChI=1S/C21H40O4/c1-4-6-8-10-11-13-15-19(3)25-21(23)17-16-20(22)24-18-14-12-9-7-5-2/h19H,4-18H2,1-3H3 |
InChIKey |
HYJUXABOWLFISV-UHFFFAOYSA-N |
Molecular Weight |
356.547 g/mol |
SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94159 |