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3-pyridinecarbonitrile, 2-[[[[(4-chlorophenyl)methyl]sulfinyl]methyl]thio]-6-(4-methoxyphenyl)-4-phenyl-
SpectraBase Compound ID 7i5Aa5me6DI
InChI InChI=1S/C27H21ClN2O2S2/c1-32-23-13-9-21(10-14-23)26-15-24(20-5-3-2-4-6-20)25(16-29)27(30-26)33-18-34(31)17-19-7-11-22(28)12-8-19/h2-15H,17-18H2,1H3
InChIKey RAICWJVBZOLUQI-UHFFFAOYSA-N
Mol Weight 505.05 g/mol
Molecular Formula C27H21ClN2O2S2
Exact Mass 504.073298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CM6XRyOlBdG
Name 3-pyridinecarbonitrile, 2-[[[[(4-chlorophenyl)methyl]sulfinyl]methyl]thio]-6-(4-methoxyphenyl)-4-phenyl-
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/C27H21ClN2O2S2/c1-32-23-13-9-21(10-14-23)26-15-24(20-5-3-2-4-6-20)25(16-29)27(30-26)33-18-34(31)17-19-7-11-22(28)12-8-19/h2-15H,17-18H2,1H3
InChIKey RAICWJVBZOLUQI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5372
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/11288049