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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-methylphenyl)sulfanyl]acetamide
SpectraBase Compound ID 6BHFmXfy6Tm
InChI InChI=1S/C20H21N3O2S/c1-14-9-11-17(12-10-14)26-13-18(24)21-19-15(2)22(3)23(20(19)25)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKey UKUIUUDYSNCLHA-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C20H21N3O2S
Exact Mass 367.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXnB87y27DI
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-methylphenyl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.135448100 u
Formula C20H21N3O2S
InChI InChI=1S/C20H21N3O2S/c1-14-9-11-17(12-10-14)26-13-18(24)21-19-15(2)22(3)23(20(19)25)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKey UKUIUUDYSNCLHA-UHFFFAOYSA-N
Molecular Weight 367.467 g/mol
SMILES N(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C(=O)CSC1=CC=C(C=C1)C