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2,6-Dimethyl-5-phenylthiomethyl-3H-pyrimidin-4-one
SpectraBase Compound ID GRyEsgN7kjP
InChI InChI=1S/C13H14N2OS/c1-9-12(13(16)15-10(2)14-9)8-17-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKey REEUKSJTUQJUPM-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExSpV7gcm2I
Name 2,6-Dimethyl-5-phenylthiomethyl-3H-pyrimidin-4-one
Alternate Name(s) 2,6-Dimethyl-5-[(phenylsulfanyl)methyl]-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c1-9-12(13(16)15-10(2)14-9)8-17-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKey REEUKSJTUQJUPM-UHFFFAOYSA-N
Molecular Weight 246.328 g/mol
SMILES N1C(=NC(=C(C1=O)CSc1ccccc1)C)C
SPLASH splash10-000l-6910000000-fcf51aa3cf5cc39e9698
Source of Spectrum F-52-1733-29
Wiley ID 794944