| SpectraBase Spectrum ID |
5Ab3fuKsReY |
| Name |
Glutaric acid, 3-methylbut-2-en cis-4-tert-butylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-15(2)13-14-23-18(21)7-6-8-19(22)24-17-11-9-16(10-12-17)20(3,4)5/h13,16-17H,6-12,14H2,1-5H3 |
| InChIKey |
SZOPDQQSOAVDTG-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89796 |
