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2-(2-Hydroxyphenyl)-4-methylthio-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin
SpectraBase Compound ID 8GzXXC00Xsw
InChI InChI=1S/C18H12N2O3S/c1-24-17-14-15(11-7-3-5-9-13(11)23-18(14)22)19-16(20-17)10-6-2-4-8-12(10)21/h2-9,21H,1H3
InChIKey CYVJGIKMJOVBHH-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C18H12N2O3S
Exact Mass 336.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNAf65CV95J
Name 2-(2-Hydroxyphenyl)-4-methylthio-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin
Alternate Name(s) 2-(2-hydroxyphenyl)-4-(methylsulfanyl)-5H-chromeno[4,3-d]pyrimidin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H12N2O3S
InChI InChI=1S/C18H12N2O3S/c1-24-17-14-15(11-7-3-5-9-13(11)23-18(14)22)19-16(20-17)10-6-2-4-8-12(10)21/h2-9,21H,1H3
InChIKey CYVJGIKMJOVBHH-UHFFFAOYSA-N
Molecular Weight 336.365 g/mol
SMILES Oc1c(-c2nc-3c(c(n2)SC)C(Oc2c3cccc2)=O)cccc1
SPLASH splash10-000i-0009000000-9f6ddcc679591b48bec4
Source of Spectrum SO-0-150-18
Wiley ID 1538783