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3-(N4-acetylsufanilamido)-1-phenyl-2-pyrazolin-5-one
SpectraBase Compound ID GuQG3mJrF9a
InChI InChI=1S/C17H16N4O4S/c1-12(22)18-13-7-9-15(10-8-13)26(24,25)20-16-11-17(23)21(19-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,22)(H,19,20)
InChIKey JOBRLZLTYRIOFN-UHFFFAOYSA-N
Mol Weight 372.4 g/mol
Molecular Formula C17H16N4O4S
Exact Mass 372.089226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH3988mFGtf
Name 3-(N4-Acetylsufanilamido)-1-phenyl-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
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Exact Mass 372.089226181 u
Formula C17H16N4O4S
InChI InChI=1S/C17H16N4O4S/c1-12(22)18-13-7-9-15(10-8-13)26(24,25)20-16-11-17(23)21(19-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,22)(H,19,20)
InChIKey JOBRLZLTYRIOFN-UHFFFAOYSA-N
Molecular Weight 372.399 g/mol
SMILES N(C=1CC(N(N1)C1=CC=CC=C1)=O)S(C=1C=CC(=CC1)NC(=O)C)(=O)=O