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benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-[4-(1-methylethyl)phenyl]-
SpectraBase Compound ID EllmHQjVsAm
InChI InChI=1S/C23H22ClNOS/c1-16(2)18-7-11-21(12-8-18)25-23(26)19-5-3-17(4-6-19)15-27-22-13-9-20(24)10-14-22/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKey SZCCPUAXTYMJDI-UHFFFAOYSA-N
Mol Weight 395.95 g/mol
Molecular Formula C23H22ClNOS
Exact Mass 395.111063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Mj911X9qmA
Name Benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-[4-(1-methylethyl)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 395.111063205 u
Formula C23H22ClNOS
InChI InChI=1S/C23H22ClNOS/c1-16(2)18-7-11-21(12-8-18)25-23(26)19-5-3-17(4-6-19)15-27-22-13-9-20(24)10-14-22/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKey SZCCPUAXTYMJDI-UHFFFAOYSA-N
Molecular Weight 395.948 g/mol
SMILES N(C(C1=CC=C(CSC=2C=CC(=CC2)Cl)C=C1)=O)C=1C=CC(=CC1)C(C)C