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1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine, N-acetyl
SpectraBase Compound ID 833PCOYS22x
InChI InChI=1S/C12H12ClN3O/c1-8-6-12(14-9(2)17)16(15-8)11-5-3-4-10(13)7-11/h3-7H,1-2H3,(H,14,17)
InChIKey YLALWTNPCFPKJN-UHFFFAOYSA-N
Mol Weight 249.7 g/mol
Molecular Formula C12H12ClN3O
Exact Mass 249.06689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jq96YMOlot
Name 1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine, N-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.066889717 u
Formula C12H12ClN3O
InChI InChI=1S/C12H12ClN3O/c1-8-6-12(14-9(2)17)16(15-8)11-5-3-4-10(13)7-11/h3-7H,1-2H3,(H,14,17)
InChIKey YLALWTNPCFPKJN-UHFFFAOYSA-N
Molecular Weight 249.701 g/mol
SMILES C1(=NN(C(=C1)NC(=O)C)C1=CC(=CC=C1)Cl)C