For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-Methyl-4-(5-methyl-furan-2-yl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile

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

6-Methyl-4-(5-methyl-furan-2-yl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile
SpectraBase Compound ID 5zxAwyDvp7W
InChI InChI=1S/C20H16N2O2S/c1-13-10-16(19-9-8-14(2)24-19)17(11-21)20(22-13)25-12-18(23)15-6-4-3-5-7-15/h3-10H,12H2,1-2H3
InChIKey SPMWYGIAJREVKJ-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C20H16N2O2S
Exact Mass 348.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3zbVkva5JNU
Name 6-Methyl-4-(5-methyl-furan-2-yl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.093248935 u
Formula C20H16N2O2S
InChI InChI=1S/C20H16N2O2S/c1-13-10-16(19-9-8-14(2)24-19)17(11-21)20(22-13)25-12-18(23)15-6-4-3-5-7-15/h3-10H,12H2,1-2H3
InChIKey SPMWYGIAJREVKJ-UHFFFAOYSA-N
Molecular Weight 348.420 g/mol
SMILES C1(=C(N=C(C=C1C=1OC(C)=CC1)C)SCC(C1=CC=CC=C1)=O)C#N