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3-(p-Chlorophenyl)-4'-(methylsulfonyl)-2-pyrazoline-1-carboxanilide
SpectraBase Compound ID InJlD79pMpz
InChI InChI=1S/C17H16ClN3O3S/c1-25(23,24)15-8-6-14(7-9-15)19-17(22)21-11-10-16(20-21)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKey AUMWDNGCXIYLIZ-UHFFFAOYSA-N
Mol Weight 377.85 g/mol
Molecular Formula C17H16ClN3O3S
Exact Mass 377.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7V0lIw6jRl
Name 3-(p-Chlorophenyl)-4'-(methylsulfonyl)-2-pyrazoline-1-carboxanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.060090258 u
Formula C17H16ClN3O3S
InChI InChI=1S/C17H16ClN3O3S/c1-25(23,24)15-8-6-14(7-9-15)19-17(22)21-11-10-16(20-21)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKey AUMWDNGCXIYLIZ-UHFFFAOYSA-N
Molecular Weight 377.846 g/mol
SMILES N(C(N1CCC(=N1)C1=CC=C(C=C1)Cl)=O)C=1C=CC(=CC1)S(=O)(=O)C