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1-(2-Fluorobenzyl)-4-(6,7-dimethoxy-2-oxo-2H-chromen-3-ylcarbamoyl)pyridinium bromide
SpectraBase Compound ID 4Rehlv9mIzJ
InChI InChI=1S/C24H19FN2O5.BrH/c1-30-21-12-17-11-19(24(29)32-20(17)13-22(21)31-2)26-23(28)15-7-9-27(10-8-15)14-16-5-3-4-6-18(16)25;/h3-13H,14H2,1-2H3;1H
InChIKey WTGJDFGVYKYIQK-UHFFFAOYSA-N
Mol Weight 515.34 g/mol
Molecular Formula C24H20BrFN2O5
Exact Mass 514.053963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OCx1Say6Hm
Name 1-(2-Fluorobenzyl)-4-(6,7-dimethoxy-2-oxo-2H-chromen-3-ylcarbamoyl)pyridinium bromide
Appearance Yellow solid
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Formula C24H20BrFN2O5
InChI InChI=1S/C24H19FN2O5.BrH/c1-30-21-12-17-11-19(24(29)32-20(17)13-22(21)31-2)26-23(28)15-7-9-27(10-8-15)14-16-5-3-4-6-18(16)25;/h3-13H,14H2,1-2H3;1H
InChIKey WTGJDFGVYKYIQK-UHFFFAOYSA-N
Instrument Name Finnigan POLARIS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.231
Molecular Weight 515.335 g/mol
Reported Formula C24H20BrFN2O5
SMILES [Br-].N(C=1C(Oc2c(cc(c(c2)OC)OC)C1)=O)C(c1cc[n+](cc1)Cc1c(cccc1)F)=O
SPLASH splash10-0a4i-4900000000-bde9626f92bf8bca1856
Source of Spectrum BJO-14-SM10-9e
Wiley ID 1845739