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Pyridine-3-carbonitrile, 1,2-dihydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-

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

Pyridine-3-carbonitrile, 1,2-dihydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-
SpectraBase Compound ID 3OY8COtcUfX
InChI InChI=1S/C18H11BrN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKey KBEPBTGILKRIAW-UHFFFAOYSA-N
Mol Weight 367.26 g/mol
Molecular Formula C18H11BrN2S
Exact Mass 365.982633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnLlEDqlWEf
Name Pyridine-3-carbonitrile, 1,2-dihydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.982632536 u
Formula C18H11BrN2S
InChI InChI=1S/C18H11BrN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKey KBEPBTGILKRIAW-UHFFFAOYSA-N
Molecular Weight 367.264 g/mol
SMILES C1(=C(C(NC(=C1)C1=CC=CC=C1)=S)C#N)C1=CC=C(C=C1)Br