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

View entire compound with spectra: 2 NMR

benzamide, N-(3-bromophenyl)-4-[[(4-chlorophenyl)thio]methyl]-
SpectraBase Compound ID HbjvJsFV8Sf
InChI InChI=1S/C20H15BrClNOS/c21-16-2-1-3-18(12-16)23-20(24)15-6-4-14(5-7-15)13-25-19-10-8-17(22)9-11-19/h1-12H,13H2,(H,23,24)
InChIKey SIWGIAABWOJRBK-UHFFFAOYSA-N
Mol Weight 432.76 g/mol
Molecular Formula C20H15BrClNOS
Exact Mass 430.974626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cz2MUgH4ZZc
Name Benzamide, N-(3-bromophenyl)-4-[[(4-chlorophenyl)thio]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.974625980 u
Formula C20H15BrClNOS
InChI InChI=1S/C20H15BrClNOS/c21-16-2-1-3-18(12-16)23-20(24)15-6-4-14(5-7-15)13-25-19-10-8-17(22)9-11-19/h1-12H,13H2,(H,23,24)
InChIKey SIWGIAABWOJRBK-UHFFFAOYSA-N
Molecular Weight 432.763 g/mol
SMILES N(C(C=1C=CC(CSC=2C=CC(=CC2)Cl)=CC1)=O)C=1C=C(Br)C=CC1