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2'-Benzoyl-2,4,5-trichlorobenzenesulfonanilide
SpectraBase Compound ID 1c319rVrnH3
InChI InChI=1S/C19H12Cl3NO3S/c20-14-10-16(22)18(11-15(14)21)27(25,26)23-17-9-5-4-8-13(17)19(24)12-6-2-1-3-7-12/h1-11,23H
InChIKey YVFBNSIWXUNLKK-UHFFFAOYSA-N
Mol Weight 440.73 g/mol
Molecular Formula C19H12Cl3NO3S
Exact Mass 438.960348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEmlQF38Gom
Name 2'-Benzoyl-2,4,5-trichlorobenzenesulfonanilide
Comments Computed using HOSE algorithm
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Exact Mass 438.960347521 u
Formula C19H12Cl3NO3S
InChI InChI=1S/C19H12Cl3NO3S/c20-14-10-16(22)18(11-15(14)21)27(25,26)23-17-9-5-4-8-13(17)19(24)12-6-2-1-3-7-12/h1-11,23H
InChIKey YVFBNSIWXUNLKK-UHFFFAOYSA-N
Molecular Weight 440.728 g/mol
SMILES N(S(C1=C(C=C(C(=C1)Cl)Cl)Cl)(=O)=O)C=1C=CC=CC1C(C=1C=CC=CC1)=O