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5-AMINO-4-CYANO-1-PHENYLPYRAZOLE-3-ACETONITRILE
SpectraBase Compound ID 1CSPLmTsOzq
InChI InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2
InChIKey GUHSDYKJSKLWJF-UHFFFAOYSA-N
Mol Weight 223.24 g/mol
Molecular Formula C12H9N5
Exact Mass 223.085795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Lo3KNWPENK
Name 5-Amino-4-cyano-3-cyanomethyl-1-phenyl-pyrazole
CAS Registry Number 7152-40-1
Comments REASSIGNED (A.H.), SHIFT OF 76.5 PPM FOR C2 ADDED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N5
InChI InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2
InChIKey GUHSDYKJSKLWJF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6