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3,5-pyridinedicarbonitrile, 2-amino-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-[4-(phenylmethoxy)phenyl]-
SpectraBase Compound ID EIM9T6nAQaz
InChI InChI=1S/C28H20N4O4S/c29-13-21-26(18-6-9-20(10-7-18)36-15-17-4-2-1-3-5-17)22(14-30)28(32-27(21)31)37-16-25(35)19-8-11-23(33)24(34)12-19/h1-12,33-34H,15-16H2,(H2,31,32)
InChIKey PBUVVYDDASTWSP-UHFFFAOYSA-N
Mol Weight 508.55 g/mol
Molecular Formula C28H20N4O4S
Exact Mass 508.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XFlzXLuh3E
Name 3,5-pyridinedicarbonitrile, 2-amino-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-[4-(phenylmethoxy)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/C28H20N4O4S/c29-13-21-26(18-6-9-20(10-7-18)36-15-17-4-2-1-3-5-17)22(14-30)28(32-27(21)31)37-16-25(35)19-8-11-23(33)24(34)12-19/h1-12,33-34H,15-16H2,(H2,31,32)
InChIKey PBUVVYDDASTWSP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2320
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/9253119; Labnumber: DVD-0000074
Temperature 303 °C