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(E)-5-(2-keto-1-pyridyl)pent-2-enoic acid ethyl ester
SpectraBase Compound ID BdTr9CPqSoL
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)8-4-6-10-13-9-5-3-7-11(13)14/h3-5,7-9H,2,6,10H2,1H3/b8-4+
InChIKey USMKTRFWPZYBIF-XBXARRHUSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwDx1cNq1Q6
Name (E)-5-(2-keto-1-pyridyl)pent-2-enoic acid ethyl ester
Alternate Name(s) (E)-5-(2-oxo-1-pyridinyl)-2-pentenoic acid ethyl ester ethyl (E)-5-(2-oxidanylidenepyridin-1-yl)pent-2-enoate ethyl (E)-5-(2-oxo-1-pyridyl)pent-2-enoate ethyl (E)-5-(2-oxopyridin-1-yl)pent-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)8-4-6-10-13-9-5-3-7-11(13)14/h3-5,7-9H,2,6,10H2,1H3/b8-4+
InChIKey USMKTRFWPZYBIF-XBXARRHUSA-N
Molecular Weight 221.256 g/mol
SMILES C1(N(C=CC=C1)CC\C=C\C(=O)OCC)=O
SPLASH splash10-0002-9030000000-005cd419a762cea43144
Source of Spectrum J-57-5710-2
Wiley ID 1221331