| SpectraBase Spectrum ID |
AZsGPtMmEGw |
| Name |
Succinic acid, cyclohexylmethyl 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 |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-21(2,3)17-9-11-18(12-10-17)25-20(23)14-13-19(22)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3 |
| InChIKey |
QPYDTLBLTZOHGN-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(CC(OCC1CCCCC1)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960886 |
