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2-Amino-4-(3-chlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
SpectraBase Compound ID D79AEOOaAkl
InChI InChI=1S/C16H11ClN2O3/c17-9-3-1-2-8(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 HYVNYLFEGHMCBP-UHFFFAOYSA-N
Mol Weight 314.73 g/mol
Molecular Formula C16H11ClN2O3
Exact Mass 314.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MuMvgHOHdS
Name 2-Amino-4-(3-chlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
Appearance Cream powder
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Exact Mass 314.045819919 u
Formula C16H11ClN2O3
InChI InChI=1S/C16H11ClN2O3/c17-9-3-1-2-8(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 HYVNYLFEGHMCBP-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/bkcs.12526
Molecular Weight 314.728 g/mol
Quality 518
SMILES NC=1OC2=C(C(=CC(=C2)O)O)C(C1C#N)C1=CC(=CC=C1)Cl
SPLASH splash10-0udi-1191000000-8723c0006dbdf24c6fd6
Source of Spectrum QB-43-SM28-4i (DOI: 10.1002/bkcs.12526)
Wiley ID 1898108