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5-Bromanyl-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one
SpectraBase Compound ID 20tof2FuOH3
InChI InChI=1S/C12H11BrN2OS/c1-9-3-2-4-11(5-9)17-8-15-7-10(13)6-14-12(15)16/h2-7H,8H2,1H3
InChIKey ISVZNIWFTKVDQU-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 vNvPEvkdJt
Name 5-Bromanyl-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one
CAS Registry Number 83768-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrN2OS
InChI InChI=1S/C12H11BrN2OS/c1-9-3-2-4-11(5-9)17-8-15-7-10(13)6-14-12(15)16/h2-7H,8H2,1H3
InChIKey ISVZNIWFTKVDQU-UHFFFAOYSA-N
Molecular Weight 311.197 g/mol
SMILES C1(N(C=C(C=N1)Br)CSc1cc(C)ccc1)=O
SPLASH splash10-000i-0900000000-f0649fbd83e596820880
Source of Spectrum Y-22-1079-3
Synonyms 5-Bromo-1-(3-tolylsulfenyl)methyl-2(1H)-pyrimidinone 5-Bromo-1-(m-tolylsulfanylmethyl)pyrimidin-2-one 5-Bromo-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one 5-Bromo-1-[(m-tolylthio)methyl]pyrimidin-2-one 5-Bromo-1-[[(3-methylphenyl)thio]methyl]-2-pyrimidinone
Wiley ID 1311071