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2-(benzylthio)-5-methyl-1H-pyrimidin-6-one
SpectraBase Compound ID EHdCp7aDMNZ
InChI InChI=1S/C12H12N2OS/c1-9-7-13-12(14-11(9)15)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey ORYTUXYMKSPQSW-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WAxnDipDCZ
Name 2-(benzylthio)-5-methyl-1H-pyrimidin-6-one
Alternate Name(s) 2-Benzylsulfanyl-5-methyl-1H-pyrimidin-6-one 5-Methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one 5-Methyl-2-(phenylmethylthio)-1H-pyrimidin-6-one
CAS Registry Number 78932-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-9-7-13-12(14-11(9)15)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey ORYTUXYMKSPQSW-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES Oc1nc(SCc2ccccc2)ncc1C
SPLASH splash10-000y-9580000000-fdc1c1ba3eac8a61983f
Source of Spectrum 0-16-154-1
Wiley ID 1233550