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3-chloro-4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID EXwB8Gv9C0r
InChI InChI=1S/C14H12ClN3S/c1-9-5-10(2)18-14(17-9)19-8-12-4-3-11(7-16)6-13(12)15/h3-6H,8H2,1-2H3
InChIKey QQUZXWLWSORERU-UHFFFAOYSA-N
Mol Weight 289.78 g/mol
Molecular Formula C14H12ClN3S
Exact Mass 289.044046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2E1FQqInhLk
Name 3-chloro-4-{[(4,6-dimethyl-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/C14H12ClN3S/c1-9-5-10(2)18-14(17-9)19-8-12-4-3-11(7-16)6-13(12)15/h3-6H,8H2,1-2H3
InChIKey QQUZXWLWSORERU-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_1867
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: ZI/8011666; Labnumber: LP-0500330; IOH_ID: IOH-001868
Temperature 297 °C