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3-Allyl-5-benzoyl-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID BMLNIZcjpWn
InChI InChI=1S/C15H14N2O2S/c1-3-9-17-14(19)12(10-16-15(17)20-2)13(18)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKey KSCWUBSLRRCVAS-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C15H14N2O2S
Exact Mass 286.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iDgJ7VFlZy
Name 3-Allyl-5-benzoyl-2-(methylthio)pyrimidin-4(3H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O2S
InChI InChI=1S/C15H14N2O2S/c1-3-9-17-14(19)12(10-16-15(17)20-2)13(18)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKey KSCWUBSLRRCVAS-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 286.349 g/mol
SMILES C(N1C(SC)=NC=C(C(=O)c2ccccc2)C1=O)C=C
SPLASH splash10-052r-0790000000-ff74b5a0492866165cbe
Source of Spectrum U1-2020-5535-6a
Wiley ID 1860931