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benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl}acetate
SpectraBase Compound ID BEiab9dZBHd
InChI InChI=1S/C22H16N4O3S/c23-10-17-20(15-6-8-16(27)9-7-15)18(11-24)22(26-21(17)25)30-13-19(28)29-12-14-4-2-1-3-5-14/h1-9,27H,12-13H2,(H2,25,26)
InChIKey YRFBDPFKURPMJF-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C22H16N4O3S
Exact Mass 416.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6O3B1b0rPR
Name benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl}acetate
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/C22H16N4O3S/c23-10-17-20(15-6-8-16(27)9-7-15)18(11-24)22(26-21(17)25)30-13-19(28)29-12-14-4-2-1-3-5-14/h1-9,27H,12-13H2,(H2,25,26)
InChIKey YRFBDPFKURPMJF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2110
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: S19185ULg3-519; Labnumber: S19185ULg3-519; VK_ID: VK-002111
Temperature 313 °C