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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 E2n2sXUiTwQ
Name 2-Amino-4-(4-fluorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
Appearance Yellow powder
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Exact Mass 298.075370382 u
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/bkcs.12526
Molecular Weight 298.273 g/mol
Quality 723
SMILES NC=1OC2=C(C(=CC(=C2)O)O)C(C1C#N)C1=CC=C(C=C1)F
SPLASH splash10-0udi-0190000000-5a18b1b56b7e5fec3e52
Source of Spectrum QB-43-SM37-4l (DOI: 10.1002/bkcs.12526)
Wiley ID 1898110