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3-pyridinecarbonitrile, 5-chloro-4,6-dimethyl-2-[[(4-nitrophenyl)methyl]thio]-
SpectraBase Compound ID IleWIU5UnVB
InChI InChI=1S/C15H12ClN3O2S/c1-9-13(7-17)15(18-10(2)14(9)16)22-8-11-3-5-12(6-4-11)19(20)21/h3-6H,8H2,1-2H3
InChIKey AULIHCRATDVDIK-UHFFFAOYSA-N
Mol Weight 333.79 g/mol
Molecular Formula C15H12ClN3O2S
Exact Mass 333.033876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DXuQ92qNKWQ
Name 3-pyridinecarbonitrile, 5-chloro-4,6-dimethyl-2-[[(4-nitrophenyl)methyl]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 333.033875510 u
Formula C15H12ClN3O2S
InChI InChI=1S/C15H12ClN3O2S/c1-9-13(7-17)15(18-10(2)14(9)16)22-8-11-3-5-12(6-4-11)19(20)21/h3-6H,8H2,1-2H3
InChIKey AULIHCRATDVDIK-UHFFFAOYSA-N
Molecular Weight 333.793 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14896
Solvent DMSO-d6
Source Vendor ID: NMR/11210535; Lab Info: KE; Lab Number: KE-0103047