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2-(Butylsulfanyl)-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID Kla3zcbRWtN
InChI InChI=1S/C8H12N2O2S/c1-2-3-4-13-8-9-6(11)5-7(12)10-8/h2-5H2,1H3,(H,9,10,11,12)
InChIKey LBKAKWRUCNPSNV-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C8H12N2O2S
Exact Mass 200.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86DyabdAn5e
Name 2-(Butylsulfanyl)-4,6(1H,5H)-pyrimidinedione
CAS Registry Number 324039-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2S
InChI InChI=1S/C8H12N2O2S/c1-2-3-4-13-8-9-6(11)5-7(12)10-8/h2-5H2,1H3,(H,9,10,11,12)
InChIKey LBKAKWRUCNPSNV-UHFFFAOYSA-N
Molecular Weight 200.256 g/mol
SMILES N1C(CC(N=C1SCCCC)=O)=O
SPLASH splash10-03fr-9200000000-1d7af6f067a88d1b8d3f
Source of Spectrum AD-0-2532-0
Synonyms 2-(butylthio)-1H-pyrimidine-4,6-dione 2-(butylthio)-1H-pyrimidine-4,6-quinone 2-Butylsulfanyl-1H-pyrimidine-4,6-dione Pyrimidine-4,6(3H,5H)-dione, 2-butylthio-
Wiley ID 1423630