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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
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WpBYsOFMvR
Name 2-[(4-nitrophenyl)-phenyl-methyl]malonic acid diethyl ester
Alternate Name(s) 2-[(4-nitrophenyl)-phenylmethyl]propanedioic acid diethyl ester Diethyl 2-[(4-nitrophenyl)-phenyl-methyl]propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)ccc(C(C(C(=O)OCC)C(=O)OCC)c2ccccc2)cc1
SPLASH splash10-0wos-0291000000-bdeff5316173481d2fc5
Source of Spectrum SK-29-873-4
Wiley ID 880484