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3-Pyridinecarbonitrile, 2-[(2-oxo-2-phenylethyl)thio]-4,6-diphenyl-

View entire compound with spectra: 2 NMR

3-Pyridinecarbonitrile, 2-[(2-oxo-2-phenylethyl)thio]-4,6-diphenyl-
SpectraBase Compound ID 1XHTpCJp7UK
InChI InChI=1S/C26H18N2OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)28-26(23)30-18-25(29)21-14-8-3-9-15-21/h1-16H,18H2
InChIKey RBLCPKJFXJPVLK-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C26H18N2OS
Exact Mass 406.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31ddfeXjGCo
Name 3-Pyridinecarbonitrile, 2-[(2-oxo-2-phenylethyl)thio]-4,6-diphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.113984381 u
Formula C26H18N2OS
InChI InChI=1S/C26H18N2OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)28-26(23)30-18-25(29)21-14-8-3-9-15-21/h1-16H,18H2
InChIKey RBLCPKJFXJPVLK-UHFFFAOYSA-N
Molecular Weight 406.503 g/mol
SMILES C1(=C(N=C(C=C1C1=CC=CC=C1)C=1C=CC=CC1)SCC(=O)C=1C=CC=CC1)C#N