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4-(2-Nitro-phenyl)-acetoacetic acid, ethyl ester

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4-(2-Nitro-phenyl)-acetoacetic acid, ethyl ester
SpectraBase Compound ID 3Bqe4VeIb
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey NEVSSHAHYYYAKX-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ium9IJxz1I
Name 4-(2-Nitro-phenyl)-acetoacetic acid, ethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey NEVSSHAHYYYAKX-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference W. Maier, Thesis (Ph.D.), Techn. Univ. of Munich, Germany (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3