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3-pyridinecarbonitrile, 4-(2-chlorophenyl)-2-[[[[4-(2-chlorophenyl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]methyl]thio]-1,4,5,6-tetrahydro-6-oxo-
SpectraBase Compound ID FIzCo1aCHol
InChI InChI=1S/C25H18Cl2N4O2S2/c26-20-7-3-1-5-14(20)16-9-22(32)30-24(18(16)11-28)34-13-35-25-19(12-29)17(10-23(33)31-25)15-6-2-4-8-21(15)27/h1-8,16-17H,9-10,13H2,(H,30,32)(H,31,33)
InChIKey VKOUTMOJGUIHEU-UHFFFAOYSA-N
Mol Weight 541.47 g/mol
Molecular Formula C25H18Cl2N4O2S2
Exact Mass 540.024824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BDT30B5lygv
Name 3-pyridinecarbonitrile, 4-(2-chlorophenyl)-2-[[[[4-(2-chlorophenyl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]methyl]thio]-1,4,5,6-tetrahydro-6-oxo-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H18Cl2N4O2S2/c26-20-7-3-1-5-14(20)16-9-22(32)30-24(18(16)11-28)34-13-35-25-19(12-29)17(10-23(33)31-25)15-6-2-4-8-21(15)27/h1-8,16-17H,9-10,13H2,(H,30,32)(H,31,33)
InChIKey VKOUTMOJGUIHEU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2350
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11238683