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2-(benzylthio)-6-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID DKCybUFdCOb
InChI InChI=1S/C12H12N2OS/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey IJCWZWYJJJGSBT-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 3I9dAV9gqO
Name 4(1H)-Pyrimidinone, 6-methyl-2-[(phenylmethyl)thio]-
CAS Registry Number 3019-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey IJCWZWYJJJGSBT-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES N1C(=CC(N=C1SCc1ccccc1)=O)C
SPLASH splash10-001l-8590000000-eb5f99915c1d917b60df
Source of Spectrum 0-16-154-1
Synonyms 2-(benzylthio)-6-methyl-1H-pyrimidin-4-one 2-Benzylsulfanyl-6-methyl-1H-pyrimidin-4-one 6-Methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one 6-Methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one
Wiley ID 1233551