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4-keto-6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile

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4-keto-6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID 66WAYUOojeT
InChI InChI=1S/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)
InChIKey PXEWDUZAXRERFW-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4hK7PO1yQll
Name 5-pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-
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/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)
InChIKey PXEWDUZAXRERFW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2008
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: NMR/9243414; Labnumber: LP-3200324
Temperature 303 °C