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2-(But-2-enylthio)-5,6-trimethylenethieno[d]pyrimidin-4-one
SpectraBase Compound ID Gk01WwherxB
InChI InChI=1S/C13H14N2OS2/c1-2-3-7-17-13-14-11(16)10-8-5-4-6-9(8)18-12(10)15-13/h2-3H,4-7H2,1H3,(H,14,15,16)/b3-2+
InChIKey CRKJDEIVOJWDJP-NSCUHMNNSA-N
Mol Weight 278.39 g/mol
Molecular Formula C13H14N2OS2
Exact Mass 278.054755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IG5mKdteZth
Name 2-(But-2-enylthio)-5,6-trimethylenethieno[d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N2OS2
InChI InChI=1S/C13H14N2OS2/c1-2-3-7-17-13-14-11(16)10-8-5-4-6-9(8)18-12(10)15-13/h2-3H,4-7H2,1H3,(H,14,15,16)/b3-2+
InChIKey CRKJDEIVOJWDJP-NSCUHMNNSA-N
Molecular Weight 278.388 g/mol
SMILES N1C(c2c(N=C1SC\C=C\C)sc1CCCc21)=O
SPLASH splash10-016r-0970000000-8539c9acbc6f5476a7b8
Source of Spectrum SO-0-745-3
Synonyms 3-[(E)-but-2-enyl]sulfanyl-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
Wiley ID 873762