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benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(3-methoxyphenyl)-

View entire compound with spectra: 2 NMR

benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(3-methoxyphenyl)-
SpectraBase Compound ID Gyyzn27EaU
InChI InChI=1S/C21H18ClNO2S/c1-25-19-4-2-3-18(13-19)23-21(24)16-7-5-15(6-8-16)14-26-20-11-9-17(22)10-12-20/h2-13H,14H2,1H3,(H,23,24)
InChIKey ATSULFOGMXGWNE-UHFFFAOYSA-N
Mol Weight 383.89 g/mol
Molecular Formula C21H18ClNO2S
Exact Mass 383.074678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRyuYbO2Dvm
Name Benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(3-methoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 383.074677696 u
Formula C21H18ClNO2S
InChI InChI=1S/C21H18ClNO2S/c1-25-19-4-2-3-18(13-19)23-21(24)16-7-5-15(6-8-16)14-26-20-11-9-17(22)10-12-20/h2-13H,14H2,1H3,(H,23,24)
InChIKey ATSULFOGMXGWNE-UHFFFAOYSA-N
Molecular Weight 383.893 g/mol
SMILES N(C(C=1C=CC(CSC2=CC=C(C=C2)Cl)=CC1)=O)C1=CC(OC)=CC=C1