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2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3,5-pyridinedicarbonitrile
SpectraBase Compound ID Bq9ZGbMcz2Y
InChI InChI=1S/C21H13ClN4O3S/c22-13-3-1-2-12(6-13)19-14(8-23)20(25)26-21(15(19)9-24)30-10-18(29)11-4-5-16(27)17(28)7-11/h1-7,27-28H,10H2,(H2,25,26)
InChIKey FFLWGWDLTAXGDR-UHFFFAOYSA-N
Mol Weight 436.87 g/mol
Molecular Formula C21H13ClN4O3S
Exact Mass 436.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5SLVLygOJLM
Name 2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3,5-pyridinedicarbonitrile
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/C21H13ClN4O3S/c22-13-3-1-2-12(6-13)19-14(8-23)20(25)26-21(15(19)9-24)30-10-18(29)11-4-5-16(27)17(28)7-11/h1-7,27-28H,10H2,(H2,25,26)
InChIKey FFLWGWDLTAXGDR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4325
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/8325114; Labnumber: DVD-0003194; IOH_ID: IOH-004326
Temperature 303 °C