| SpectraBase Spectrum ID |
3rvgq6rjh8M |
| Name |
Glutaric acid, 2-methylhex-3-yl 2-propylpentyl 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/c1-6-10-17(11-7-2)15-23-19(21)13-9-14-20(22)24-18(12-8-3)16(4)5/h16-18H,6-15H2,1-5H3 |
| InChIKey |
IWGMBUQQZRACEC-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(OCC(CCC)CCC)(=O)CCCC(OC(CCC)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983531 |
