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1H-pyrazole, 4-[(E)-[(aminocarbonothioyl)hydrazono]methyl]-5-methoxy-3-methyl-1-phenyl-
SpectraBase Compound ID ClqDnnbQYEq
InChI InChI=1S/C13H15N5OS/c1-9-11(8-15-16-13(14)20)12(19-2)18(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8+
InChIKey QJUFAXHRSNZJBS-OVCLIPMQSA-N
Mol Weight 289.36 g/mol
Molecular Formula C13H15N5OS
Exact Mass 289.099731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQeetEfD8eW
Name 1H-Pyrazole, 4-[(E)-[(aminocarbonothioyl)hydrazono]methyl]-5-methoxy-3-methyl-1-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 289.099731296 u
Formula C13H15N5OS
InChI InChI=1S/C13H15N5OS/c1-9-11(8-15-16-13(14)20)12(19-2)18(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8+
InChIKey QJUFAXHRSNZJBS-OVCLIPMQSA-N
Molecular Weight 289.357 g/mol
SMILES N(C(=S)N)\N=C\C1=C(N(N=C1C)C=1C=CC=CC1)OC