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2-(Butylsulfanyl)-6-methyl-4(1H)-pyrimidinone
SpectraBase Compound ID Grzv33NinKu
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-9-10-7(2)6-8(12)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey IJMZSUIAWNDYKA-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 7kUwebySbtD
Name 2-(Butylsulfanyl)-6-methyl-4(1H)-pyrimidinone
CAS Registry Number 55749-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2OS
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-9-10-7(2)6-8(12)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey IJMZSUIAWNDYKA-UHFFFAOYSA-N
Molecular Weight 198.284 g/mol
SMILES N1C(=NC(C=C1C)=O)SCCCC
SPLASH splash10-0536-3900000000-d2912ffe761e9c398fb7
Source of Spectrum W5-1989-9888-1
Synonyms 2-(butylthio)-6-methyl-1H-pyrimidin-4-one 2-Butyl-6-methylthiouracil 2-Butylsulfanyl-6-methyl-1H-pyrimidin-4-one
Wiley ID 1195049