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N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methylbenzenesulfonohydrazide
SpectraBase Compound ID JwTxdQVLRr4
InChI InChI=1S/C19H20N4O2S/c1-14-9-11-18(12-10-14)26(24,25)22-20-13-19-15(2)21-23(16(19)3)17-7-5-4-6-8-17/h4-13,22H,1-3H3/b20-13+
InChIKey RTXNHCBWVATSOB-DEDYPNTBSA-N
Mol Weight 368.46 g/mol
Molecular Formula C19H20N4O2S
Exact Mass 368.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mtcZ1igFpf
Name N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methylbenzenesulfonohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 368.130697072 u
Formula C19H20N4O2S
InChI InChI=1S/C19H20N4O2S/c1-14-9-11-18(12-10-14)26(24,25)22-20-13-19-15(2)21-23(16(19)3)17-7-5-4-6-8-17/h4-13,22H,1-3H3/b20-13+
InChIKey RTXNHCBWVATSOB-DEDYPNTBSA-N
Molecular Weight 368.455 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)\N=C\C1=C(N(N=C1C)C1=CC=CC=C1)C