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4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
SpectraBase Compound ID 9VBm2g0fup3
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-9-10-6-7(2)8(12)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey HOBULIANSSXNLM-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 GWAKKXvhqUy
Name 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
Alternate Name(s) 2-(Butylsulfanyl)-5-methyl-4-pyrimidinol 2-(butylthio)-5-methyl-1H-pyrimidin-6-one 2-Butylsulfanyl-5-methyl-1H-pyrimidin-6-one
CAS Registry Number 54845-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2OS
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-9-10-6-7(2)8(12)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey HOBULIANSSXNLM-UHFFFAOYSA-N
Molecular Weight 198.284 g/mol
SMILES N1C(=NC=C(C1=O)C)SCCCC
SPLASH splash10-0k96-7900000000-14c4e50e5bcafd98b573
Source of Spectrum TA-0-920-0
Wiley ID 22845