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E-3-(4-Benzimidazolyl)amino-2-cyano-prop-2-enoic acid, methyl ester

View entire compound with spectra: 1 NMR

E-3-(4-Benzimidazolyl)amino-2-cyano-prop-2-enoic acid, methyl ester
SpectraBase Compound ID KrtsjaBeR5T
InChI InChI=1S/C12H10N4O2/c1-18-12(17)8(5-13)6-14-9-3-2-4-10-11(9)16-7-15-10/h2-4,6-7,14H,1H3,(H,15,16)/b8-6+
InChIKey MQRYYROZPVAISA-SOFGYWHQSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsS0MoKm7Oh
Name E-3-(4-Benzimidazolyl)amino-2-cyano-prop-2-enoic acid, methyl ester
CAS Registry Number 117398-15-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c1-18-12(17)8(5-13)6-14-9-3-2-4-10-11(9)16-7-15-10/h2-4,6-7,14H,1H3,(H,15,16)/b8-6+
InChIKey MQRYYROZPVAISA-SOFGYWHQSA-N
Instrument Name Jeol FX-100
Literature Reference I. Goljer, V. Milata, D. Ilavsky, Magn. Res. Chem. 27, 138 (1989).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6