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3,5-pyridinedicarbonitrile, 2-amino-4-(3-hydroxyphenyl)-6-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]-
SpectraBase Compound ID F0jR5Zsmhzz
InChI InChI=1S/C24H14N4O4S/c25-10-17-21(14-5-3-6-15(29)8-14)18(11-26)23(28-22(17)27)33-12-19(30)16-9-13-4-1-2-7-20(13)32-24(16)31/h1-9,29H,12H2,(H2,27,28)
InChIKey XBQHFFKABMTQHS-UHFFFAOYSA-N
Mol Weight 454.46 g/mol
Molecular Formula C24H14N4O4S
Exact Mass 454.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9luwoepLwxP
Name 3,5-pyridinedicarbonitrile, 2-amino-4-(3-hydroxyphenyl)-6-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]-
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/C24H14N4O4S/c25-10-17-21(14-5-3-6-15(29)8-14)18(11-26)23(28-22(17)27)33-12-19(30)16-9-13-4-1-2-7-20(13)32-24(16)31/h1-9,29H,12H2,(H2,27,28)
InChIKey XBQHFFKABMTQHS-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3363
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: AG-205/5059443; Labnumber: TSH-1131; IOH_ID: IOH-010366
Temperature 313 °C