| SpectraBase Spectrum ID |
9XrkMRe5EHz |
| Name |
Glutaric acid, di(3,4-dimethylcyclohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-14-8-10-18(12-16(14)3)24-20(22)6-5-7-21(23)25-19-11-9-15(2)17(4)13-19/h14-19H,5-13H2,1-4H3 |
| InChIKey |
BDKGJIBGMWWXNW-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(CCC(OC1CCC(C)C(C)C1)=O)C(OC1CC(C(C)CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961901 |
