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Mono-[N-[2-[3-chloro-1,4-naphthoquinonyl]]bis[p-aminophenyl]sulfone
SpectraBase Compound ID JnU8d9fP7gU
InChI InChI=1S/C22H15ClN2O4S/c23-19-20(22(27)18-4-2-1-3-17(18)21(19)26)25-14-7-11-16(12-8-14)30(28,29)15-9-5-13(24)6-10-15/h1-12,25H,24H2
InChIKey FGMFXEKKCXGSNE-UHFFFAOYSA-N
Mol Weight 438.89 g/mol
Molecular Formula C22H15ClN2O4S
Exact Mass 438.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YzMtkYe16X
Name Mono-[N-[2-[3-chloro-1,4-naphthoquinonyl]]bis[p-aminophenyl]sulfone
Comments Computed using HOSE algorithm
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Exact Mass 438.044105841 u
Formula C22H15ClN2O4S
InChI InChI=1S/C22H15ClN2O4S/c23-19-20(22(27)18-4-2-1-3-17(18)21(19)26)25-14-7-11-16(12-8-14)30(28,29)15-9-5-13(24)6-10-15/h1-12,25H,24H2
InChIKey FGMFXEKKCXGSNE-UHFFFAOYSA-N
Molecular Weight 438.885 g/mol
SMILES C1=CC=CC2=C1C(=O)C(NC1=CC=C(S(=O)(=O)C=3C=CC(N)=CC3)C=C1)=C(C2=O)Cl