| SpectraBase Spectrum ID |
BWKmVUNpjQe |
| Name |
Glutaric acid, cyclohexylmethyl trans-4-tert-butylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-22(2,3)18-12-14-19(15-13-18)26-21(24)11-7-10-20(23)25-16-17-8-5-4-6-9-17/h17-19H,4-16H2,1-3H3 |
| InChIKey |
DEMOISFIAXGSHO-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950329 |
