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{[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetic acid
SpectraBase Compound ID 5XNjnS4HG1a
InChI InChI=1S/C20H13ClN2O2S/c21-17-9-5-4-8-14(17)15-10-18(13-6-2-1-3-7-13)23-20(16(15)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
InChIKey GIYLHXNWLKDARK-UHFFFAOYSA-N
Mol Weight 380.85 g/mol
Molecular Formula C20H13ClN2O2S
Exact Mass 380.038627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfmllEh78F4
Name {[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetic acid
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/C20H13ClN2O2S/c21-17-9-5-4-8-14(17)15-10-18(13-6-2-1-3-7-13)23-20(16(15)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
InChIKey GIYLHXNWLKDARK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25596
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: S18759; Labnumber: ULg1-021; SBI_ID: SBI-025600
Temperature 303 °C