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3,5-pyridinedicarbonitrile, 2-amino-4-cyclohexyl-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-
SpectraBase Compound ID GjsG5p9oqPD
InChI InChI=1S/C22H22N4O2S/c1-28-16-9-7-14(8-10-16)19(27)13-29-22-18(12-24)20(15-5-3-2-4-6-15)17(11-23)21(25)26-22/h7-10,15H,2-6,13H2,1H3,(H2,25,26)
InChIKey VXUFINXLNCHTNT-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H22N4O2S
Exact Mass 406.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cc6YOu7vYkH
Name 3,5-pyridinedicarbonitrile, 2-amino-4-cyclohexyl-6-[[2-(4-methoxyphenyl)-2-oxoethyl]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 406.146347136 u
Formula C22H22N4O2S
InChI InChI=1S/C22H22N4O2S/c1-28-16-9-7-14(8-10-16)19(27)13-29-22-18(12-24)20(15-5-3-2-4-6-15)17(11-23)21(25)26-22/h7-10,15H,2-6,13H2,1H3,(H2,25,26)
InChIKey VXUFINXLNCHTNT-UHFFFAOYSA-N
Molecular Weight 406.504 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9220
Solvent DMSO-d6
Source Vendor ID: NMR/9264706; Lab Info: DVD; Lab Number: DVD-0000012