| SpectraBase Spectrum ID |
G9BjnbGD9Hw |
| Name |
Glutaric acid, dec-2-yl 2-ethylbutyl 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/c1-5-8-9-10-11-12-14-18(4)25-21(23)16-13-15-20(22)24-17-19(6-2)7-3/h18-19H,5-17H2,1-4H3 |
| InChIKey |
AFYPWYPOFKDKCN-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899667 |
