| SpectraBase Spectrum ID |
5N80pZqqTA6 |
| Name |
Glutaric acid, hept-2-yl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-7-8-9-11-17(3)24-19(22)13-10-12-18(21)23-15-16(2)14-20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey |
PZDUPLRHCZJCTL-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982839 |
