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3E-(4-Nitro-anilino)-2-cyano-propenoic acid, methyl ester
SpectraBase Compound ID 80qb4grCK4N
InChI InChI=1S/C11H9N3O4/c1-18-11(15)8(6-12)7-13-9-2-4-10(5-3-9)14(16)17/h2-5,7,13H,1H3/b8-7+
InChIKey LAOYXJQWUAMSSL-BQYQJAHWSA-N
Mol Weight 247.21 g/mol
Molecular Formula C11H9N3O4
Exact Mass 247.059306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INV0Rz9ZKAt
Name 3E-(4-Nitro-anilino)-2-cyano-propenoic acid, methyl ester
CAS Registry Number 1220-11-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H9N3O4
InChI InChI=1S/C11H9N3O4/c1-18-11(15)8(6-12)7-13-9-2-4-10(5-3-9)14(16)17/h2-5,7,13H,1H3/b8-7+
InChIKey LAOYXJQWUAMSSL-BQYQJAHWSA-N
Instrument Name Tesla BS477
Literature Reference M. Michalik, Z. Chem. 26, 104 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6