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Ethanone, 1-[2-(methylthio)-5-pyrimidinyl]-
SpectraBase Compound ID 3CIClTy9kYU
InChI InChI=1S/C7H8N2OS/c1-5(10)6-3-8-7(11-2)9-4-6/h3-4H,1-2H3
InChIKey SGHBZENSWHEDCF-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C7H8N2OS
Exact Mass 168.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMT1upPOWSV
Name Ethanone, 1-[2-(methylthio)-5-pyrimidinyl]-
CAS Registry Number 84755-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2OS
InChI InChI=1S/C7H8N2OS/c1-5(10)6-3-8-7(11-2)9-4-6/h3-4H,1-2H3
InChIKey SGHBZENSWHEDCF-UHFFFAOYSA-N
Molecular Weight 168.214 g/mol
SMILES c1(ncc(cn1)C(=O)C)SC
SPLASH splash10-014i-0900000000-c220f6376253774dd846
Source of Spectrum SB-36-530-0
Synonyms 1-(2-Methylsulfanylpyrimidin-5-yl)ethanone 1-[2-(methylthio)-5-pyrimidinyl]ethanone 1-[2-(methylthio)pyrimidin-5-yl]ethanone
Wiley ID 1164001