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2-(4-Fluoro-benzylsulfanyl)-N-pyridin-3-ylmethyl-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(4-Fluoro-benzylsulfanyl)-N-pyridin-3-ylmethyl-benzamide
SpectraBase Compound ID DrxmOxfe2cj
InChI InChI=1S/C20H17FN2OS/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKey VINMREJGXWPTLF-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C20H17FN2OS
Exact Mass 352.104563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDenQgMjoVt
Name 2-(4-Fluoro-benzylsulfanyl)-N-pyridin-3-ylmethyl-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.104562511 u
Formula C20H17FN2OS
InChI InChI=1S/C20H17FN2OS/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKey VINMREJGXWPTLF-UHFFFAOYSA-N
Molecular Weight 352.427 g/mol
SMILES C1(C(NCC2=CC=CN=C2)=O)=C(SCC=2C=CC(=CC2)F)C=CC=C1