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5-Chloro-2-(2-chloro-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile

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

5-Chloro-2-(2-chloro-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile
SpectraBase Compound ID Bts1DKFBTGy
InChI InChI=1S/C15H12Cl2N2S/c1-9-12(7-18)15(19-10(2)14(9)17)20-8-11-5-3-4-6-13(11)16/h3-6H,8H2,1-2H3
InChIKey VZKOPUSVKDQXRO-UHFFFAOYSA-N
Mol Weight 323.24 g/mol
Molecular Formula C15H12Cl2N2S
Exact Mass 322.009825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C9mKO83sTKI
Name 3-pyridinecarbonitrile, 5-chloro-2-[[(2-chlorophenyl)methyl]thio]-4,6-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.009824968 u
Formula C15H12Cl2N2S
InChI InChI=1S/C15H12Cl2N2S/c1-9-12(7-18)15(19-10(2)14(9)17)20-8-11-5-3-4-6-13(11)16/h3-6H,8H2,1-2H3
InChIKey VZKOPUSVKDQXRO-UHFFFAOYSA-N
Molecular Weight 323.241 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17354
Solvent CDCl3
Source Vendor ID: NMR/10272493; Lab Info: KE; Lab Number: KE-KV60122