| SpectraBase Spectrum ID |
DaDdc4AgaMV |
| Name |
Diethyl 4-phenylcyclohex-3-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-3-21-16(19)18(17(20)22-4-2)12-10-15(11-13-18)14-8-6-5-7-9-14/h5-10H,3-4,11-13H2,1-2H3 |
| InChIKey |
QSGCXXAPKGDEKV-UHFFFAOYSA-N |
| SMILES |
C1(=CCC(C(OCC)=O)(CC1)C(=O)OCC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861307 |
