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6-hydroxy-4-imino-1-{[(E)-phenylmethylidene]amino}-5-(trifluoromethyl)-3,4-dihydro-2(1H)-pyrimidinethione
SpectraBase Compound ID C6qTw6Q365q
InChI InChI=1S/C12H9F3N4OS/c13-12(14,15)8-9(16)18-11(21)19(10(8)20)17-6-7-4-2-1-3-5-7/h1-6,20H,(H2,16,18,21)/b17-6+
InChIKey VCHNLKKHFJYHAL-UBKPWBPPSA-N
Mol Weight 314.29 g/mol
Molecular Formula C12H9F3N4OS
Exact Mass 314.044917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5lqXkruhC4f
Name 6-hydroxy-4-imino-1-{[(E)-phenylmethylidene]amino}-5-(trifluoromethyl)-3,4-dihydro-2(1H)-pyrimidinethione
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/C12H9F3N4OS/c13-12(14,15)8-9(16)18-11(21)19(10(8)20)17-6-7-4-2-1-3-5-7/h1-6,20H,(H2,16,18,21)/b17-6+
InChIKey VCHNLKKHFJYHAL-UBKPWBPPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15205
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: 987/00001526; Labnumber: 987/00001526218817; VK_ID: VK-015210
Synonyms 6-hydroxy-4-imino-1-{[phenylmethylidene]amino}-5-(trifluoromethyl)-3,4-dihydro-2(1H)-pyrimidinethione
Temperature 308 °C