| SpectraBase Spectrum ID |
3VMkFXk9Ar |
| Name |
Glutaric acid, 2-methylhex-3-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/c1-8-10-17(15(2)3)24-19(22)12-9-11-18(21)23-14-16(4)13-20(5,6)7/h15-17H,8-14H2,1-7H3 |
| InChIKey |
UGESDFFYQZYVRC-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(OCC(CC(C)(C)C)C)(=O)CCCC(OC(CCC)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971298 |
