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1H-Indole, 2-(2-nitrophenyl)-1-(phenylsulfonyl)-
SpectraBase Compound ID DJNu9k1WmNK
InChI InChI=1S/C20H14N2O4S/c23-22(24)19-13-7-5-11-17(19)20-14-15-8-4-6-12-18(15)21(20)27(25,26)16-9-2-1-3-10-16/h1-14H
InChIKey XCNGLUNTOGJIJD-UHFFFAOYSA-N
Mol Weight 378.4 g/mol
Molecular Formula C20H14N2O4S
Exact Mass 378.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpQ8btFomlh
Name 1H-Indole, 2-(2-nitrophenyl)-1-(phenylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 378.067428109 u
Formula C20H14N2O4S
InChI InChI=1S/C20H14N2O4S/c23-22(24)19-13-7-5-11-17(19)20-14-15-8-4-6-12-18(15)21(20)27(25,26)16-9-2-1-3-10-16/h1-14H
InChIKey XCNGLUNTOGJIJD-UHFFFAOYSA-N
Molecular Weight 378.402 g/mol
SMILES C1(S(N2C(C=3C(N(=O)=O)=CC=CC3)=CC3=C2C=CC=C3)(=O)=O)=CC=CC=C1