| SpectraBase Spectrum ID |
EYjRYTl3sX5 |
| Name |
Glutaric acid, dec-2-yl 2-methylpentyl 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/c1-5-7-8-9-10-11-14-19(4)25-21(23)16-12-15-20(22)24-17-18(3)13-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey |
YVDBMIJYRQMEII-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939583 |
