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2-(But-2-enylthio)tetrahydrobenzo[d]thieno[d]pyrimidin-4-one
SpectraBase Compound ID 6wOn6oFVtBD
InChI InChI=1S/C14H16N2OS2/c1-2-3-8-18-14-15-12(17)11-9-6-4-5-7-10(9)19-13(11)16-14/h2-3H,4-8H2,1H3,(H,15,16,17)/b3-2+
InChIKey PVEMJSRKDNHKMP-NSCUHMNNSA-N
Mol Weight 292.41 g/mol
Molecular Formula C14H16N2OS2
Exact Mass 292.070405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bf1sKbJCzWQ
Name 2-(But-2-enylthio)tetrahydrobenzo[d]thieno[d]pyrimidin-4-one
Alternate Name(s) 2-[[(E)-but-2-enyl]thio]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[(E)-but-2-enyl]sulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[(E)-but-2-enyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16N2OS2
InChI InChI=1S/C14H16N2OS2/c1-2-3-8-18-14-15-12(17)11-9-6-4-5-7-10(9)19-13(11)16-14/h2-3H,4-8H2,1H3,(H,15,16,17)/b3-2+
InChIKey PVEMJSRKDNHKMP-NSCUHMNNSA-N
Molecular Weight 292.415 g/mol
SMILES N1C(c2c(N=C1SC\C=C\C)sc1CCCCc21)=O
SPLASH splash10-0a4l-0090000000-23e040ec78089c73fca2
Source of Spectrum SO-0-745-3
Wiley ID 873761