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2,6-diamino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID 19oX2geTzCt
InChI InChI=1S/C20H14BrClN4OS/c21-12-3-6-17(27-10-11-1-4-13(22)5-2-11)14(7-12)18-15(8-23)19(25)28-20(26)16(18)9-24/h1-7,18H,10,25-26H2
InChIKey PXCDYJMVJYJTRF-UHFFFAOYSA-N
Mol Weight 473.78 g/mol
Molecular Formula C20H14BrClN4OS
Exact Mass 471.976023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4NRFq9qHAr
Name 2,6-diamino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-4H-thiopyran-3,5-dicarbonitrile
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/C20H14BrClN4OS/c21-12-3-6-17(27-10-11-1-4-13(22)5-2-11)14(7-12)18-15(8-23)19(25)28-20(26)16(18)9-24/h1-7,18H,10,25-26H2
InChIKey PXCDYJMVJYJTRF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18301
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: UZI/1029265; Labnumber: TSI4107; UZI_ID: UZI-018308
Temperature 318 °C