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8,9-Difluoro-2-(4-methoxyphenyl)-2H-benzo[4,5]imidazo[1,2-a]-[1,2,3]triazolo[4,5-e]pyrimidine
SpectraBase Compound ID D5FCQres1VE
InChI InChI=1S/C17H10F2N6O/c1-26-10-4-2-9(3-5-10)25-22-14-8-20-17-21-13-6-11(18)12(19)7-15(13)24(17)16(14)23-25/h2-8H,1H3
InChIKey YRVAOJHOPAFBEI-UHFFFAOYSA-N
Mol Weight 352.3 g/mol
Molecular Formula C17H10F2N6O
Exact Mass 352.088415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwTHdLzdKfC
Name 8,9-Difluoro-2-(4-methoxyphenyl)-2H-benzo[4,5]imidazo[1,2-a]-[1,2,3]triazolo[4,5-e]pyrimidine
Appearance Yellow powder
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Formula C17H10F2N6O
InChI InChI=1S/C17H10F2N6O/c1-26-10-4-2-9(3-5-10)25-22-14-8-20-17-21-13-6-11(18)12(19)7-15(13)24(17)16(14)23-25/h2-8H,1H3
InChIKey YRVAOJHOPAFBEI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 352.305 g/mol
SMILES c1(F)c(cc2c(nc3[n]2-c2c(C=N3)n[n](n2)-c2ccc(cc2)OC)c1)F
SPLASH splash10-0udi-8419000000-f33e99b8412f02b3232d
Source of Spectrum JOC-86-SM43-9a
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867790