2-[(4-Nitrophenyl)-phenyl-methyl]malonic acid diethyl ester

SpectraBase Compound ID	5QYu35O0G83
InChI	InChI=1S/C20H21NO6/c1-3-26-19(22)18(20(23)27-4-2)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)21(24)25/h5-13,17-18H,3-4H2,1-2H3
InChIKey	MYXVPTWJJSOVHL-UHFFFAOYSA-N Google Search
Mol Weight	371.39 g/mol
Molecular Formula	C20H21NO6
Exact Mass	371.136887 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	DUl4BVnXEeB
Name	2-[(4-Nitrophenyl)-phenyl-methyl]malonic acid diethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	371.136887394 u
Formula	C20H21NO6
InChI	InChI=1S/C20H21NO6/c1-3-26-19(22)18(20(23)27-4-2)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)21(24)25/h5-13,17-18H,3-4H2,1-2H3
InChIKey	MYXVPTWJJSOVHL-UHFFFAOYSA-N
Molecular Weight	371.389 g/mol
SMILES	C1(N(=O)=O)=CC=C(C(C(C(=O)OCC)C(=O)OCC)C2=CC=CC=C2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.958283