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2-(But-2-enylthio)-6,7-dimetoxybenzopyrimidin-4-one
SpectraBase Compound ID JFArz0Vjwrh
InChI InChI=1S/C14H16N2O3S/c1-4-5-6-20-14-15-10-8-12(19-3)11(18-2)7-9(10)13(17)16-14/h4-5,7-8H,6H2,1-3H3,(H,15,16,17)/b5-4+
InChIKey JACQIGQEUYRXKJ-SNAWJCMRSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyUp84px6Pi
Name 2-(But-2-enylthio)-6,7-dimetoxybenzopyrimidin-4-one
Alternate Name(s) 2-[(E)-but-2-enyl]sulfanyl-6,7-dimethoxy-1H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-4-5-6-20-14-15-10-8-12(19-3)11(18-2)7-9(10)13(17)16-14/h4-5,7-8H,6H2,1-3H3,(H,15,16,17)/b5-4+
InChIKey JACQIGQEUYRXKJ-SNAWJCMRSA-N
Molecular Weight 292.353 g/mol
SMILES N1C(=Nc2cc(c(cc2C1=O)OC)OC)SC\C=C\C
SPLASH splash10-0a4i-0090000000-4b849167bc5d0a1a1cc4
Source of Spectrum SO-0-744-3
Wiley ID 873766