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(E)-4-(3-(8-Methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-enyl)-1-(2-oxo-2-p-tolylethyl)pyridinium bromide
SpectraBase Compound ID 64AHNPvNCcF
InChI InChI=1S/C27H22NO5.BrH/c1-18-6-9-20(10-7-18)24(30)17-28-14-12-19(13-15-28)8-11-23(29)22-16-21-4-3-5-25(32-2)26(21)33-27(22)31;/h3-16H,17H2,1-2H3;1H/q+1;/p-1/b11-8+;
InChIKey GFSKPQBVCBDHJU-YGCVIUNWSA-M
Mol Weight 520.379 g/mol
Molecular Formula C27H22BrNO5
Exact Mass 519.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDyhiLeN1SN
Name (E)-4-(3-(8-Methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-enyl)-1-(2-oxo-2-p-tolylethyl)pyridinium bromide
Alternate Name(s) (E)-4-(3-(8-methoxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl)-1-(2-oxo-2-(p-tolyl)ethyl)pyridin-1-ium bromide 8-Methoxy-3-[(E)-3-[1-[2-(4-methylphenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-1-oxoprop-2-enyl]-1-benzopyran-2-one;bromide 8-Methoxy-3-[(E)-3-[1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]prop-2-enoyl]chromen-2-one;bromide 8-Methoxy-3-[(E)-3-[1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-4-yl]prop-2-enoyl]chromen-2-one;bromide 8-Methoxy-3-[(E)-3-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]prop-2-enoyl]chromen-2-one;bromide
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Formula C27H22BrNO5
InChI InChI=1S/C27H22NO5.BrH/c1-18-6-9-20(10-7-18)24(30)17-28-14-12-19(13-15-28)8-11-23(29)22-16-21-4-3-5-25(32-2)26(21)33-27(22)31;/h3-16H,17H2,1-2H3;1H/q+1;/p-1/b11-8+;
InChIKey GFSKPQBVCBDHJU-YGCVIUNWSA-M
Molecular Weight 520.379 g/mol
SMILES C(C(=O)c1ccc(cc1)C)[n+]1ccc(cc1)\C=C\C(=O)C=1C(Oc2c(cccc2C1)OC)=O.[Br-]
SPLASH splash10-01bc-8905200000-7a2dfeb20b41de03434e
Source of Spectrum APC-346-584-7a
Wiley ID 1769550