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5-Bromo-4-(propylsulfanyl)-2(1H)-pyrimidinone
SpectraBase Compound ID DmQSZakRiWx
InChI InChI=1S/C7H9BrN2OS/c1-2-3-12-6-5(8)4-9-7(11)10-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKey KCXVKIZVKDSDJM-UHFFFAOYSA-N
Mol Weight 249.13 g/mol
Molecular Formula C7H9BrN2OS
Exact Mass 247.961897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfL42AFWefC
Name 5-Bromo-4-(propylsulfanyl)-2(1H)-pyrimidinone
Alternate Name(s) 4-Propylthio-5-bromo-pyrimidin-2(1H)-one 5-Bromanyl-6-propylsulfanyl-1H-pyrimidin-2-one 5-Bromo-6-(propylthio)-1H-pyrimidin-2-one 5-Bromo-6-propylsulfanyl-1H-pyrimidin-2-one
CAS Registry Number 106146-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9BrN2OS
InChI InChI=1S/C7H9BrN2OS/c1-2-3-12-6-5(8)4-9-7(11)10-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKey KCXVKIZVKDSDJM-UHFFFAOYSA-N
Molecular Weight 249.126 g/mol
SMILES N1C(N=CC(=C1SCCC)Br)=O
SPLASH splash10-0ab9-0490000000-7c7c9167f96a39d1eb6f
Source of Spectrum O-21-275-15
Wiley ID 1250378