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(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-phenyl-methanone
SpectraBase Compound ID 3E34TGGt2m9
InChI InChI=1S/C13H12N2OS/c1-9-11(8-14-13(15-9)17-2)12(16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey TXYHYLAWXJRVJJ-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C13H12N2OS
Exact Mass 244.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DC1HZ2puAm
Name (4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-phenyl-methanone
Alternate Name(s) [4-methyl-2-(methylthio)-5-pyrimidinyl]-phenylmethanone [4-methyl-2-(methylthio)pyrimidin-5-yl]-phenyl-methanone
CAS Registry Number 126685-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2OS
InChI InChI=1S/C13H12N2OS/c1-9-11(8-14-13(15-9)17-2)12(16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey TXYHYLAWXJRVJJ-UHFFFAOYSA-N
Molecular Weight 244.312 g/mol
SMILES c1(C(=O)c2ccccc2)c(nc(nc1)SC)C
SPLASH splash10-002f-5490000000-e497135b10eb7431d196
Source of Spectrum Y-27-1849-4
Wiley ID 1246860