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N-[2-[1,4-Naphthoquinonyl]]-.alpha.-amino-p-toluenesulfonamide
SpectraBase Compound ID CLr41D0dFQ1
InChI InChI=1S/C17H14N2O4S/c18-24(22,23)12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2,(H2,18,22,23)
InChIKey WGGGCMDLZKSWSD-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrnEEE2QyBY
Name N-[2-[1,4-Naphthoquinonyl]]-.alpha.-amino-p-toluenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 342.067428109 u
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c18-24(22,23)12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2,(H2,18,22,23)
InChIKey WGGGCMDLZKSWSD-UHFFFAOYSA-N
Molecular Weight 342.369 g/mol
SMILES C1(S(=O)(N)=O)=CC=C(C=C1)CNC1=CC(=O)C=2C(C1=O)=CC=CC2