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2-[(2-Chlorobenzyl)sulfanyl]-6-methyl-4-pyrimidinol
SpectraBase Compound ID CYInIzFMOcA
InChI InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey JMFQIUITYYSCIG-UHFFFAOYSA-N
Mol Weight 266.75 g/mol
Molecular Formula C12H11ClN2OS
Exact Mass 266.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyCQwTJUFLg
Name 2-[(2-Chlorobenzyl)sulfanyl]-6-methyl-4-pyrimidinol
Alternate Name(s) 2-[(2-chlorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one 2-[(2-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(2-chlorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one
CAS Registry Number 91397-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN2OS
InChI InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey JMFQIUITYYSCIG-UHFFFAOYSA-N
Molecular Weight 266.746 g/mol
SMILES Oc1nc(nc(c1)C)SCc1c(Cl)cccc1
SPLASH splash10-004s-9620000000-b12581d62dddecfd2958
Source of Spectrum AD-0-2532-0
Wiley ID 1432984