| SpectraBase Spectrum ID |
vGpvRk67mP |
| Name |
Glutaric acid, 2-octyl octyl 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/c1-4-6-8-10-11-13-18-24-20(22)16-14-17-21(23)25-19(3)15-12-9-7-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
JBXDFMJIVQMMNI-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
CC(OC(=O)CCCC(OCCCCCCCC)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857431 |
