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5-Bromo-4-(butylsulfanyl)-2(1H)-pyrimidinone
SpectraBase Compound ID BQIwgfYJxPh
InChI InChI=1S/C8H11BrN2OS/c1-2-3-4-13-7-6(9)5-10-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKey DABMPKASCYBAEI-UHFFFAOYSA-N
Mol Weight 263.15 g/mol
Molecular Formula C8H11BrN2OS
Exact Mass 261.977547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TpI2ISOxUN
Name 5-Bromo-4-(butylsulfanyl)-2(1H)-pyrimidinone
Alternate Name(s) 4-Butylthio-5-bromo-pyrimidin-2(1H)-one 5-Bromanyl-6-butylsulfanyl-1H-pyrimidin-2-one 5-Bromo-6-(butylthio)-1H-pyrimidin-2-one 5-Bromo-6-butylsulfanyl-1H-pyrimidin-2-one
CAS Registry Number 106146-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11BrN2OS
InChI InChI=1S/C8H11BrN2OS/c1-2-3-4-13-7-6(9)5-10-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKey DABMPKASCYBAEI-UHFFFAOYSA-N
Molecular Weight 263.153 g/mol
SMILES N1C(N=CC(=C1SCCCC)Br)=O
SPLASH splash10-0ab9-0390000000-ea643081888a1d5ba421
Source of Spectrum O-21-275-16
Wiley ID 1265174