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8-(Benzyloxy)-7-bromoquinoline-2-yl 7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl ketone
SpectraBase Compound ID HBszIVKDgxl
InChI InChI=1S/C28H20BrNO6/c1-33-22-13-10-18-14-19(28(32)36-25(18)27(22)34-2)24(31)21-12-9-17-8-11-20(29)26(23(17)30-21)35-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKey FWXAZSZHYYVWGC-UHFFFAOYSA-N
Mol Weight 546.37 g/mol
Molecular Formula C28H20BrNO6
Exact Mass 545.0474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBsOMUrGv4y
Name 8-(Benzyloxy)-7-bromoquinoline-2-yl 7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl ketone
Comments Less than 3 mono-isotopic peaks
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Formula C28H20BrNO6
InChI InChI=1S/C28H20BrNO6/c1-33-22-13-10-18-14-19(28(32)36-25(18)27(22)34-2)24(31)21-12-9-17-8-11-20(29)26(23(17)30-21)35-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKey FWXAZSZHYYVWGC-UHFFFAOYSA-N
Molecular Weight 546.373 g/mol
SMILES C=1(C(Oc2c(C1)ccc(OC)c2OC)=O)C(c1nc2c(OCc3ccccc3)c(Br)ccc2cc1)=O
SPLASH splash10-0006-9000000000-13760b1edefbaa7b2642
Source of Spectrum C-115-10739-9
Synonyms 3-{[8-(benzyloxy)-7-bromo-2-quinolinyl]carbonyl}-7,8-dimethoxy-2H-chromen-2-one
Wiley ID 1405152