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2-(1-Butylthio)pyrimidine-4(3H)-one
SpectraBase Compound ID 2JTZC7vTCh9
InChI InChI=1S/C8H12N2OS/c1-2-3-6-12-8-9-5-4-7(11)10-8/h4-5H,2-3,6H2,1H3,(H,9,10,11)
InChIKey FCXIAZMHGVYTNT-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 yFF9SWajAt
Name 2-(1-Butylthio)pyrimidine-4(3H)-one
CAS Registry Number 54774-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2OS
InChI InChI=1S/C8H12N2OS/c1-2-3-6-12-8-9-5-4-7(11)10-8/h4-5H,2-3,6H2,1H3,(H,9,10,11)
InChIKey FCXIAZMHGVYTNT-UHFFFAOYSA-N
Molecular Weight 184.257 g/mol
SMILES N1C(=NC=CC1=O)SCCCC
SPLASH splash10-0006-9200000000-c2fafb97d9a08987f7ce
Source of Spectrum TA-0-637-0
Synonyms 4(1H)-Pyrimidinone, 2-(butylthio)- 2-(Butylsulfanyl)-4-pyrimidinol 2-(butylsulfanyl)-4(3H)-pyrimidinone 2-Butylsulfanyl-1H-pyrimidin-6-one 2-(butylthio)-1H-pyrimidin-6-one
Wiley ID 19149