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benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(1-methylpropyl)-

View entire compound with spectra: 2 NMR

benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(1-methylpropyl)-
SpectraBase Compound ID 5WYAGk3vOwm
InChI InChI=1S/C18H20ClNOS/c1-3-13(2)20-18(21)15-6-4-14(5-7-15)12-22-17-10-8-16(19)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKey BLWVUZFVLMJSIJ-UHFFFAOYSA-N
Mol Weight 333.88 g/mol
Molecular Formula C18H20ClNOS
Exact Mass 333.095413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mApTBIWhsG
Name Benzamide, 4-[[(4-chlorophenyl)thio]methyl]-N-(1-methylpropyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.095413141 u
Formula C18H20ClNOS
InChI InChI=1S/C18H20ClNOS/c1-3-13(2)20-18(21)15-6-4-14(5-7-15)12-22-17-10-8-16(19)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKey BLWVUZFVLMJSIJ-UHFFFAOYSA-N
Molecular Weight 333.877 g/mol
SMILES N(C(C=1C=CC(CSC=2C=CC(=CC2)Cl)=CC1)=O)C(CC)C