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4-Keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile

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4-Keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID FNOLyrsICkP
InChI InChI=1S/C12H9N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKey KWPORPUTWFECTQ-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8c8HHQauCED
Name 4-hydroxy-6-(4-methylphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile
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/C12H9N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKey KWPORPUTWFECTQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9825
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: D60704; Labnumber: VGU-0018865; SBI_ID: SBI-009828
Temperature 306 °C