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5'-Acetyl-2'-chloro-alpha,alpha,alpha-trifluoro-m-toluenesulfonanllide

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5'-Acetyl-2'-chloro-alpha,alpha,alpha-trifluoro-m-toluenesulfonanllide
SpectraBase Compound ID FzqenDww0DP
InChI InChI=1S/C15H11ClF3NO3S/c1-9(21)10-5-6-13(16)14(7-10)20-24(22,23)12-4-2-3-11(8-12)15(17,18)19/h2-8,20H,1H3
InChIKey UFEMZDXURKSVLF-UHFFFAOYSA-N
Mol Weight 377.77 g/mol
Molecular Formula C15H11ClF3NO3S
Exact Mass 377.010027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEmdVaSjbhM
Name 5'-Acetyl-2'-chloro-alpha,alpha,alpha-trifluoro-m-toluenesulfonanllide
Comments Computed using HOSE algorithm
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Exact Mass 377.010026578 u
Formula C15H11ClF3NO3S
InChI InChI=1S/C15H11ClF3NO3S/c1-9(21)10-5-6-13(16)14(7-10)20-24(22,23)12-4-2-3-11(8-12)15(17,18)19/h2-8,20H,1H3
InChIKey UFEMZDXURKSVLF-UHFFFAOYSA-N
Molecular Weight 377.765 g/mol
SMILES N(S(C1=CC=CC(=C1)C(F)(F)F)(=O)=O)C=1C(=CC=C(C1)C(C)=O)Cl