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4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(2-fluorobenzyl)pyridinium chloride
SpectraBase Compound ID JMM7tZUX4Ot
InChI InChI=1S/C25H17FN3O3.ClH/c26-19-7-3-1-5-16(19)14-29-11-9-15(10-12-29)21-18(13-27)24(28)32-23-17-6-2-4-8-20(17)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey HBQXRADLWTVSGZ-UHFFFAOYSA-M
Mol Weight 461.88 g/mol
Molecular Formula C25H17ClFN3O3
Exact Mass 461.094247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaCP7OhE79W
Name 4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(2-fluorobenzyl)pyridinium chloride
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Formula C25H17ClFN3O3
InChI InChI=1S/C25H17FN3O3.ClH/c26-19-7-3-1-5-16(19)14-29-11-9-15(10-12-29)21-18(13-27)24(28)32-23-17-6-2-4-8-20(17)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey HBQXRADLWTVSGZ-UHFFFAOYSA-M
Molecular Weight 461.880 g/mol
SMILES [Cl-].NC1=C(C(c2cc[n+](cc2)Cc2c(cccc2)F)C=2C(Oc3ccccc3C2O1)=O)C#N
SPLASH splash10-0c0r-3902000000-dafd1e9cde7e6791b1a0
Source of Spectrum EMC-68-267-6a
Synonyms 4-(2-amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c]chromen-4-yl)-1-(2-fluorobenzyl)pyridin-1-ium chloride 2-Amino-4-[1-[(2-fluorophenyl)methyl]-4-pyridin-1-iumyl]-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile;chloride 2-Amino-4-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride 2-Azanyl-4-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride
Wiley ID 1755193