| SpectraBase Spectrum ID |
6kmyo4gHAdD |
| Name |
2-(2-Cyclohexyl-2-phenyl-ethyl)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-3-24-20(22)19(21(23)25-4-2)15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5,7-8,11-12,17-19H,3-4,6,9-10,13-15H2,1-2H3 |
| InChIKey |
UZIZGELFEYIOIC-UHFFFAOYSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C(C(C(=O)OCC)CC(C=1C=CC=CC1)C1CCCCC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815334 |
