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4-(Butylsulfanyl)-5-methyl-2(1H)-pyrimidinone
SpectraBase Compound ID IRgy6jywXil
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-8-7(2)6-10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey OUEWSYAZXZAHJE-UHFFFAOYSA-N
Mol Weight 198.28 g/mol
Molecular Formula C9H14N2OS
Exact Mass 198.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1O3DZCa20oy
Name 4-(Butylsulfanyl)-5-methyl-2(1H)-pyrimidinone
Alternate Name(s) 4-Butylthiothymine 6-(butylthio)-5-methyl-1H-pyrimidin-2-one 6-Butylsulfanyl-5-methyl-1H-pyrimidin-2-one
CAS Registry Number 67914-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2OS
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-8-7(2)6-10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey OUEWSYAZXZAHJE-UHFFFAOYSA-N
Molecular Weight 198.284 g/mol
SMILES N1C(N=CC(=C1SCCCC)C)=O
SPLASH splash10-0006-1900000000-c7c2ef0963272f060a60
Source of Spectrum W5-1989-9893-1
Wiley ID 1195051