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3-pyridinecarbonitrile, 2-[[3-[[(4-chlorophenyl)methyl]sulfonyl]-2-hydroxypropyl]thio]-4,6-dimethyl-
SpectraBase Compound ID nJAAy3F3Bu
InChI InChI=1S/C18H19ClN2O3S2/c1-12-7-13(2)21-18(17(12)8-20)25-9-16(22)11-26(23,24)10-14-3-5-15(19)6-4-14/h3-7,16,22H,9-11H2,1-2H3
InChIKey WWAONBNOJNKRSU-UHFFFAOYSA-N
Mol Weight 410.93 g/mol
Molecular Formula C18H19ClN2O3S2
Exact Mass 410.052563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Esdck2reAGP
Name 3-pyridinecarbonitrile, 2-[[3-[[(4-chlorophenyl)methyl]sulfonyl]-2-hydroxypropyl]thio]-4,6-dimethyl-
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/C18H19ClN2O3S2/c1-12-7-13(2)21-18(17(12)8-20)25-9-16(22)11-26(23,24)10-14-3-5-15(19)6-4-14/h3-7,16,22H,9-11H2,1-2H3
InChIKey WWAONBNOJNKRSU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5394
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/11288067