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4,6-Dimethyl-2-oxo-5-(pyrimidin-2-ylsulfanylmethyl)-1,2-dihydro-pyridine-3-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,6-Dimethyl-2-oxo-5-(pyrimidin-2-ylsulfanylmethyl)-1,2-dihydro-pyridine-3-carbonitrile
SpectraBase Compound ID 58jJR2cYH7Y
InChI InChI=1S/C13H12N4OS/c1-8-10(6-14)12(18)17-9(2)11(8)7-19-13-15-4-3-5-16-13/h3-5H,7H2,1-2H3,(H,17,18)
InChIKey ZVUPTUNTVCWRTE-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4J5NpOEmNCV
Name 3-pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-5-[(2-pyrimidinylthio)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.073182195 u
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-8-10(6-14)12(18)17-9(2)11(8)7-19-13-15-4-3-5-16-13/h3-5H,7H2,1-2H3,(H,17,18)
InChIKey ZVUPTUNTVCWRTE-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10833
Solvent DMSO-d6
Source Vendor ID: NMR/10261070; Lab Info: LP; Lab Number: LP-2100806