| SpectraBase Spectrum ID |
Bn5Yfo7DtrA |
| Name |
Diethyl 3-(4-methylphenyl)-6-phenyl-1,4-cyclohexadiene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.183109313 u |
| Formula |
C25H26O4 |
| InChI |
InChI=1S/C25H26O4/c1-4-28-24(26)22-20(18-9-7-6-8-10-18)15-16-21(23(22)25(27)29-5-2)19-13-11-17(3)12-14-19/h6-16,20-21H,4-5H2,1-3H3 |
| InChIKey |
VGOCWNFEYZRKFC-UHFFFAOYSA-N |
| Molecular Weight |
390.479 g/mol |
| SMILES |
C1=CC(C(=C(C1c1ccc(cc1)C)C(=O)OCC)C(=O)OCC)c1ccccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954425 |
