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3-[(E)-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidin-4-one
SpectraBase Compound ID 5j8RUyLBtXF
InChI InChI=1S/C13H12N2OS/c16-12-8-9-14-13(17)15(12)10-4-7-11-5-2-1-3-6-11/h1-9H,10H2,(H,14,17)/b7-4+
InChIKey DRJPCFHWTMBTOF-QPJJXVBHSA-N
Mol Weight 244.31 g/mol
Molecular Formula C13H12N2OS
Exact Mass 244.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GERgxMwD5CP
Name 3-[(E)-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidin-4-one
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2OS
InChI InChI=1S/C13H12N2OS/c16-12-8-9-14-13(17)15(12)10-4-7-11-5-2-1-3-6-11/h1-9H,10H2,(H,14,17)/b7-4+
InChIKey DRJPCFHWTMBTOF-QPJJXVBHSA-N
Literature Reference Author T.PARELLA,F.SANCHEZ-FERRANDO,A.VIRGILI
Literature Reference Citation MAGN.RES.CHEM.,32,343(1994)
Literature Reference DOI 10.1002/mrc.1260320606
Molecular Weight 244.311 g/mol
Solvent DMSO-D6
Source File Reference UWCP801