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4-(trans-2-Carboxy-2-cyano-ethenyl)-3-methyl-1-phenyl-pyrazolol-5 dianion
SpectraBase Compound ID 9xziLQpf6bH
InChI InChI=1S/C14H11N3O3/c1-9-12(7-10(8-15)14(19)20)13(18)17(16-9)11-5-3-2-4-6-11/h2-7,18H,1H3,(H,19,20)/p-2/b10-7+
InChIKey CMCHAPPRZVOCOF-JXMROGBWSA-L
Mol Weight 267.24 g/mol
Molecular Formula C14H9N3O3
Exact Mass 267.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UV8MgjIHdT
Name 4-(trans-2-Carboxy-2-cyano-ethenyl)-3-methyl-1-phenyl-pyrazolol-5 dianion
Comments DISODIUM SALT|STRUCTURE IS CHANGED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H9N3O3
InChI InChI=1S/C14H11N3O3/c1-9-12(7-10(8-15)14(19)20)13(18)17(16-9)11-5-3-2-4-6-11/h2-7,18H,1H3,(H,19,20)/p-2/b10-7+
InChIKey CMCHAPPRZVOCOF-JXMROGBWSA-L
Instrument Name Varian XL-100
Literature Reference H.H. Otto, H. Schmelz, Monatsh. Chem. 111, 53 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6