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1,3-Dimethyl-5-(P-nitrophenylimino)-barbituric acid

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1,3-Dimethyl-5-(P-nitrophenylimino)-barbituric acid
SpectraBase Compound ID 5PlXwmMBUKC
InChI InChI=1S/C12H12N4O5/c1-14-10(17)9(11(18)15(2)12(14)19)13-7-3-5-8(6-4-7)16(20)21/h3-6,13,17H,1-2H3
InChIKey VXHQRTXMORBKDK-UHFFFAOYSA-N
Mol Weight 292.25 g/mol
Molecular Formula C12H12N4O5
Exact Mass 292.080769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2H8geF9w7PV
Name 1,3-Dimethyl-5-(P-nitrophenylimino)-barbituric acid
CAS Registry Number 70264-56-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N4O5
InChI InChI=1S/C12H12N4O5/c1-14-10(17)9(11(18)15(2)12(14)19)13-7-3-5-8(6-4-7)16(20)21/h3-6,13,17H,1-2H3
InChIKey VXHQRTXMORBKDK-UHFFFAOYSA-N
Literature Reference J.M. Sayer, P. Conlon, J.Hupp, J. Am. Chem. Soc. 101, 1890 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6