| SpectraBase Spectrum ID |
IJ6FapSuS6u |
| Name |
Glutaric acid, 3-methylbut-2-yl 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 |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-14(2)15(3)23-18(21)8-7-9-19(22)24-17-12-10-16(11-13-17)20(4,5)6/h14-17H,7-13H2,1-6H3 |
| InChIKey |
DQHCKUBYXFRJAB-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841685 |
