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1-Nitro-4-[[(Z)-2-phenyl-2-(phenylsulfonyl)ethenoxy]methyl]benzene
SpectraBase Compound ID 7CpdKnmZWPA
InChI InChI=1S/C21H17NO5S/c23-22(24)19-13-11-17(12-14-19)15-27-16-21(18-7-3-1-4-8-18)28(25,26)20-9-5-2-6-10-20/h1-14,16H,15H2/b21-16-
InChIKey ZFSNIZRHHFTLEX-PGMHBOJBSA-N
Mol Weight 395.43 g/mol
Molecular Formula C21H17NO5S
Exact Mass 395.082744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlhLaGREB82
Name 1-Nitro-4-[[(Z)-2-phenyl-2-(phenylsulfonyl)ethenoxy]methyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 395.082743820 u
Formula C21H17NO5S
InChI InChI=1S/C21H17NO5S/c23-22(24)19-13-11-17(12-14-19)15-27-16-21(18-7-3-1-4-8-18)28(25,26)20-9-5-2-6-10-20/h1-14,16H,15H2/b21-16-
InChIKey ZFSNIZRHHFTLEX-PGMHBOJBSA-N
Molecular Weight 395.429 g/mol
SMILES C(O\C=C\(S(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N(=O)=O)C=C1