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5-Chloro-4,6-dimethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile

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

5-Chloro-4,6-dimethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile
SpectraBase Compound ID AssgJBoRKDr
InChI InChI=1S/C16H13ClN2OS/c1-10-13(8-18)16(19-11(2)15(10)17)21-9-14(20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3
InChIKey GRKUNECUMDCHGI-UHFFFAOYSA-N
Mol Weight 316.81 g/mol
Molecular Formula C16H13ClN2OS
Exact Mass 316.043712 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6gbuNfXOT3W
Name 3-pyridinecarbonitrile, 5-chloro-4,6-dimethyl-2-[(2-oxo-2-phenylethyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.043711920 u
Formula C16H13ClN2OS
InChI InChI=1S/C16H13ClN2OS/c1-10-13(8-18)16(19-11(2)15(10)17)21-9-14(20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3
InChIKey GRKUNECUMDCHGI-UHFFFAOYSA-N
Molecular Weight 316.806 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16055
Solvent DMSO-d6
Source Vendor ID: NMR/10270761; Lab Info: KE; Lab Number: KE-0102010