| SpectraBase Spectrum ID |
BHPdvJQlAlY |
| Name |
Sebacic acid, butyl 4-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/c1-4-7-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(14-5-2)15-6-3/h19H,4-18H2,1-3H3 |
| InChIKey |
GFECQPZVSMHDEU-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCC(OC(CCC)CCC)=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964199 |
