| SpectraBase Spectrum ID |
CsfbzUSHlkL |
| Name |
Glutaric acid, hept-2-yl 2-tert-butylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-6-7-8-12-17(2)25-20(23)15-11-16-21(24)26-19-14-10-9-13-18(19)22(3,4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey |
PROVUWDMANCXGS-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OC1C(CCCC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950694 |
