| SpectraBase Spectrum ID |
JK4CpgyMKPk |
| Name |
Glutaric acid, di(6-methylhept-2-yl) 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/c1-16(2)10-7-12-18(5)24-20(22)14-9-15-21(23)25-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3 |
| InChIKey |
VECQLNNGQRPGQM-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(OC(CCCC(C)C)C)(=O)CCCC(OC(C)CCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974979 |
