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2-Amino-4-(4-fluorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
SpectraBase Compound ID Aio64zFubhB
InChI InChI=1S/C16H11FN2O3/c17-9-3-1-8(2-4-9)14-11(7-18)16(19)22-13-6-10(20)5-12(21)15(13)14/h1-6,14,20-21H,19H2
InChIKey JRIXTOMYEAYAGR-UHFFFAOYSA-N
Mol Weight 298.27 g/mol
Molecular Formula C16H11FN2O3
Exact Mass 298.07537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HOtBYjtb19
Name 2-Amino-4-(4-fluorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
Appearance Yellow powder
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Formula C16H11FN2O3
InChI InChI=1S/C16H11FN2O3/c17-9-3-1-8(2-4-9)14-11(7-18)16(19)22-13-6-10(20)5-12(21)15(13)14/h1-6,14,20-21H,19H2
InChIKey JRIXTOMYEAYAGR-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jccs.202200324
Molecular Weight 298.273 g/mol
SMILES Oc1cc2OC(=C(C(c2c(c1)O)c1ccc(cc1)F)C#N)N
SPLASH splash10-0udi-1190000000-97c329fd2d94164b297b
Source of Spectrum QA-69-SM34-4k
Wiley ID 1880694