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4-{[(4-oxo-6-phenyl-1,4-dihydro-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID JbuKgtcPa2K
InChI InChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-23-18-20-16(10-17(22)21-18)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,21,22)
InChIKey QEDVLODTOQLLGO-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JRiWlxSQBe
Name 4-{[(4-oxo-6-phenyl-1,4-dihydro-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
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/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-23-18-20-16(10-17(22)21-18)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,21,22)
InChIKey QEDVLODTOQLLGO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3316
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/10211826; Labnumber: JSA-0000187
Temperature 297 °C