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2-(Butylsulfanyl)-5-chloro-4(3H)-pyrimidinone
SpectraBase Compound ID 2KPLPjq6esT
InChI InChI=1S/C8H11ClN2OS/c1-2-3-4-13-8-10-5-6(9)7(12)11-8/h5H,2-4H2,1H3,(H,10,11,12)
InChIKey MRYNICYKFKTCOP-UHFFFAOYSA-N
Mol Weight 218.7 g/mol
Molecular Formula C8H11ClN2OS
Exact Mass 218.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J34D8NxgJvc
Name 2-(Butylsulfanyl)-5-chloro-4(3H)-pyrimidinone
CAS Registry Number 106146-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClN2OS
InChI InChI=1S/C8H11ClN2OS/c1-2-3-4-13-8-10-5-6(9)7(12)11-8/h5H,2-4H2,1H3,(H,10,11,12)
InChIKey MRYNICYKFKTCOP-UHFFFAOYSA-N
Molecular Weight 218.702 g/mol
SMILES N1C(=NC=C(C1=O)Cl)SCCCC
SPLASH splash10-0ir0-1900000000-7b6df9dbc7b0a52984d1
Source of Spectrum O-21-274-4
Synonyms 2-(butylthio)-5-chloro-1H-pyrimidin-6-one 2-Buthylthio-5-chloro-pyrimidin-4(3H)-one 2-Butylsulfanyl-5-chloranyl-1H-pyrimidin-6-one 2-Butylsulfanyl-5-chloro-1H-pyrimidin-6-one
Wiley ID 1217018