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6-[(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)carbonyl][1,2,4]triazolo[4,3-a]pyrimidine
SpectraBase Compound ID CMTK3WsoOYT
InChI InChI=1S/C16H12N4O5/c1-23-13-9-3-4-25-14(9)15(24-2)12(22)10(13)11(21)8-5-17-16-19-18-7-20(16)6-8/h3-7,22H,1-2H3
InChIKey ZOUBCFYAYAZSIJ-UHFFFAOYSA-N
Mol Weight 340.3 g/mol
Molecular Formula C16H12N4O5
Exact Mass 340.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lj7QUOTmhZt
Name 6-[(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)carbonyl][1,2,4]triazolo[4,3-a]pyrimidine
Appearance Yellow crystals
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Formula C16H12N4O5
InChI InChI=1S/C16H12N4O5/c1-23-13-9-3-4-25-14(9)15(24-2)12(22)10(13)11(21)8-5-17-16-19-18-7-20(16)6-8/h3-7,22H,1-2H3
InChIKey ZOUBCFYAYAZSIJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2733
Molecular Weight 340.295 g/mol
SMILES Oc1c(c(c2c(occ2)c1OC)OC)C(=O)C=1C=Nc2[n](C1)cnn2
SPLASH splash10-0563-7953000000-66b61b0e57a0fdf3bb85
Source of Spectrum Y-54-1475-25
Wiley ID 1878241