| SpectraBase Spectrum ID |
5a6f9I4xnJ3 |
| Name |
Succinic acid, ethyl 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 |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-5-19-14(17)10-11-15(18)20-13-8-6-12(7-9-13)16(2,3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey |
UWVDMDGKNIATPX-UHFFFAOYSA-N |
| SMILES |
C(OC1CCC(C(C)(C)C)CC1)(CCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971554 |
