| SpectraBase Spectrum ID |
fVCslYKNqU |
| Name |
Fumaric acid, 3-phenylpropyl cyclohexylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c21-19(23-15-7-12-17-8-3-1-4-9-17)13-14-20(22)24-16-18-10-5-2-6-11-18/h1,3-4,8-9,13-14,18H,2,5-7,10-12,15-16H2/b14-13+ |
| InChIKey |
XUCLDZYJGXOFLW-BUHFOSPRSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
C(\C=C\C(OCC1CCCCC1)=O)(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838947 |
