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1-[4-(Pyrimidin-5-ylthio)phenyl]ethanone
SpectraBase Compound ID JU1cC26ZZuI
InChI InChI=1S/C12H10N2OS/c1-9(15)10-2-4-11(5-3-10)16-12-6-13-8-14-7-12/h2-8H,1H3
InChIKey YSQMGOLQJXFYAL-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C12H10N2OS
Exact Mass 230.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iwk9TZPThS
Name 1-[4-(Pyrimidin-5-ylthio)phenyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2OS
InChI InChI=1S/C12H10N2OS/c1-9(15)10-2-4-11(5-3-10)16-12-6-13-8-14-7-12/h2-8H,1H3
InChIKey YSQMGOLQJXFYAL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo2007253
Molecular Weight 230.285 g/mol
SMILES c1cc(ccc1C(C)=O)Sc1cncnc1
SPLASH splash10-0159-0090000000-22790acf568c3442f0a0
Source of Spectrum J-76-4376-5p
Synonyms 1-(4-(pyrimidin-5-ylthio)phenyl)ethanone 1-[4-(5-Pyrimidinylthio)phenyl]ethanone 1-(4-pyrimidin-5-ylsulfanylphenyl)ethanone
Wiley ID 1744871