| SpectraBase Spectrum ID |
Fn7X0BjBfDv |
| Name |
Fumaric acid, propyl 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 |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-5-12-20-15(18)10-11-16(19)21-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey |
QJPIEINJGXGKRM-ZHACJKMWSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C1(CCC(CC1)OC(\C=C\C(=O)OCCC)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884325 |
