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Pyridinium-3-carboxylic acid, 1-[2-(4-bromophenyl)-2-oxoethyl]-, ethyl ester
SpectraBase Compound ID 25Qw1YEbXaj
InChI InChI=1S/C16H15BrNO3/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12/h3-10H,2,11H2,1H3/q+1
InChIKey MBIPMUFCFWZVEK-UHFFFAOYSA-N
Mol Weight 349.2 g/mol
Molecular Formula C16H15BrNO3
Exact Mass 348.023531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L17c8h3K4sA
Name Pyridinium-3-carboxylic acid, 1-[2-(4-bromophenyl)-2-oxoethyl]-, ethyl ester
Alternate Name(s) 1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(ethoxycarbonyl)pyridinium 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester Ethyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Ethyl 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate
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Formula C16H15BrNO3
InChI InChI=1S/C16H15BrNO3/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12/h3-10H,2,11H2,1H3/q+1
InChIKey MBIPMUFCFWZVEK-UHFFFAOYSA-N
Molecular Weight 349.204 g/mol
SMILES CCOC(c1c[n+](CC(c2ccc(cc2)Br)=O)ccc1)=O
SPLASH splash10-0zj0-9700000000-fc6fd6b768836db8f5f3
Source of Spectrum AD-0-2532-0
Wiley ID 1430593