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2-[(4-Hydroxy-5-isopropyl-6-methyl-2-pyrimidinyl)sulfanyl]-1-phenylethanone
SpectraBase Compound ID FyzTjTOlLYQ
InChI InChI=1S/C16H18N2O2S/c1-10(2)14-11(3)17-16(18-15(14)20)21-9-13(19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20)
InChIKey AQZIIENCWSZXGI-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C16H18N2O2S
Exact Mass 302.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En8PeWAXmhz
Name 2-[(4-Hydroxy-5-isopropyl-6-methyl-2-pyrimidinyl)sulfanyl]-1-phenylethanone
CAS Registry Number 284665-85-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O2S
InChI InChI=1S/C16H18N2O2S/c1-10(2)14-11(3)17-16(18-15(14)20)21-9-13(19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20)
InChIKey AQZIIENCWSZXGI-UHFFFAOYSA-N
Molecular Weight 302.392 g/mol
SMILES Oc1nc(nc(C)c1C(C)C)SCC(=O)c1ccccc1
SPLASH splash10-0kdi-9750000000-f20f783ab87c94862ce0
Source of Spectrum AD-0-2532-0
Synonyms 5-isopropyl-6-methyl-2-(phenacylthio)-1H-pyrimidin-4-one 5-isopropyl-6-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one 6-Methyl-2-(phenacylthio)-5-propan-2-yl-1H-pyrimidin-4-one 6-Methyl-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Pyrimidin-4-ol, 5-isopropyl-6-methyl-2-(2-oxo-2-phenylethylthio)-
Wiley ID 1428942