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4-(Butylsulfanyl)-2(1H)-pyrimidinone
SpectraBase Compound ID 14mx87xBVwF
InChI InChI=1S/C8H12N2OS/c1-2-3-6-12-7-4-5-9-8(11)10-7/h4-5H,2-3,6H2,1H3,(H,9,10,11)
InChIKey XJSXDGPSZGPVOK-UHFFFAOYSA-N
Mol Weight 184.26 g/mol
Molecular Formula C8H12N2OS
Exact Mass 184.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6C1rwpTIcY
Name 4-(Butylsulfanyl)-2(1H)-pyrimidinone
CAS Registry Number 67914-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2OS
InChI InChI=1S/C8H12N2OS/c1-2-3-6-12-7-4-5-9-8(11)10-7/h4-5H,2-3,6H2,1H3,(H,9,10,11)
InChIKey XJSXDGPSZGPVOK-UHFFFAOYSA-N
Molecular Weight 184.257 g/mol
SMILES N1C(N=CC=C1SCCCC)=O
SPLASH splash10-004i-1900000000-1faea8a22bf4ba7791cd
Source of Spectrum W5-1989-9892-1
Synonyms 4-Butylthiouracil 6-(butylthio)-1H-pyrimidin-2-one 6-Butylsulfanyl-1H-pyrimidin-2-one
Wiley ID 1180195