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2-[(4-Bromobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID 2WHDY5E1aOa
InChI InChI=1S/C12H11BrN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey RSKAHSYQDPWGIX-UHFFFAOYSA-N
Mol Weight 311.2 g/mol
Molecular Formula C12H11BrN2OS
Exact Mass 309.977547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JQg1z3s1Qg
Name 2-[(4-Bromobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone
CAS Registry Number 195002-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrN2OS
InChI InChI=1S/C12H11BrN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey RSKAHSYQDPWGIX-UHFFFAOYSA-N
Molecular Weight 311.197 g/mol
SMILES N1C(C=C(N=C1SCc1ccc(cc1)Br)C)=O
SPLASH splash10-03dr-9502000000-e63ba677f50f1773e1d7
Synonyms 2-(4-Bromo-benzylsulfanyl)-6-methyl-3H-pyrimidin-4-one 2-[(4-bromobenzyl)thio]-6-methyl-1H-pyrimidin-4-one 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(4-bromophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one
Wiley ID 1461664