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bis(p-nitrobenzyl)malonic acid, diethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

bis(p-nitrobenzyl)malonic acid, diethyl ester
SpectraBase Compound ID u2y0KNaiwK
InChI InChI=1S/C21H22N2O8/c1-3-30-19(24)21(20(25)31-4-2,13-15-5-9-17(10-6-15)22(26)27)14-16-7-11-18(12-8-16)23(28)29/h5-12H,3-4,13-14H2,1-2H3
InChIKey MBHFXCWGKAUFQO-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C21H22N2O8
Exact Mass 430.137616 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOutYSneRCF
Name BIS(p-NITROBENZYL)MALONIC ACID, DIETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O8
InChI InChI=1S/C21H22N2O8/c1-3-30-19(24)21(20(25)31-4-2,13-15-5-9-17(10-6-15)22(26)27)14-16-7-11-18(12-8-16)23(28)29/h5-12H,3-4,13-14H2,1-2H3
InChIKey MBHFXCWGKAUFQO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 430.42
Solvent CDCl3; Reference=TMS; Temperature 297K