| SpectraBase Spectrum ID |
JLVd5BsfBWN |
| Name |
Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-14-9-11-15(12-10-14)17(19(20(23)25-2)21(24)26-3)13-18(22)16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3 |
| InChIKey |
IZJXRRYZNVNLHT-UHFFFAOYSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C(C(CC(=O)C1=CC=CC=C1)C=1C=CC(=CC1)C)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972109 |
![Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]malonate](/api/spectrum/JLVd5BsfBWN/structure.png?h=300&w=458 "Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]malonate")
