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3-Amino-5-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 4E0l4BoFphh
InChI InChI=1S/C10H7ClN4/c11-8-4-2-1-3-6(8)9-7(5-12)10(13)15-14-9/h1-4H,(H3,13,14,15)
InChIKey QARYTBIJVCCHSO-UHFFFAOYSA-N
Mol Weight 218.65 g/mol
Molecular Formula C10H7ClN4
Exact Mass 218.035924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1tbjyGgbpA
Name 3-Amino-5-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.035923941 u
Formula C10H7ClN4
InChI InChI=1S/C10H7ClN4/c11-8-4-2-1-3-6(8)9-7(5-12)10(13)15-14-9/h1-4H,(H3,13,14,15)
InChIKey QARYTBIJVCCHSO-UHFFFAOYSA-N
SMILES C1(=C(NN=C1N)C=1C(Cl)=CC=CC1)C#N