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2(1H)-Pyrimidinone, 4-[(1-methyl-2-propynyl)thio]-
SpectraBase Compound ID LjmhkWYR4DN
InChI InChI=1S/C8H8N2OS/c1-3-6(2)12-7-4-5-9-8(11)10-7/h1,4-6H,2H3,(H,9,10,11)
InChIKey PMJSMTUNWWGYOY-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C8H8N2OS
Exact Mass 180.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGelpZ1wmlB
Name 2(1H)-Pyrimidinone, 4-[(1-methyl-2-propynyl)thio]-
CAS Registry Number 105245-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2OS
InChI InChI=1S/C8H8N2OS/c1-3-6(2)12-7-4-5-9-8(11)10-7/h1,4-6H,2H3,(H,9,10,11)
InChIKey PMJSMTUNWWGYOY-UHFFFAOYSA-N
Molecular Weight 180.225 g/mol
SMILES N1C=CC(=NC1=O)SC(C#C)C
SPLASH splash10-008i-7900000000-69ba1a7b0b0a9f7e47c1
Source of Spectrum F-42-312-6
Synonyms 4-(1-Methylpropargythio)pyrimidin-2(1H)-one 4-[(1-methyl-2-propynyl)sulfanyl]-2(1H)-pyrimidinone
Wiley ID 1175831