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2-[2-(2-Pyridyl)-ethyl]-acetoacetic acid, ethyl ester
SpectraBase Compound ID Cip8qvBX7bs
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)12(10(2)15)8-7-11-6-4-5-9-14-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKey HXTPGVVMOXURSQ-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbsiPOwuu
Name 3-keto-2-[2-(2-pyridyl)ethyl]butyric acid ethyl ester
Alternate Name(s) 3-Oxo-2-[2-(2-pyridinyl)ethyl]butanoic acid ethyl ester Ethyl 3-oxidanylidene-2-(2-pyridin-2-ylethyl)butanoate Ethyl 3-oxo-2-(2-pyridin-2-ylethyl)butanoate Ethyl 3-oxo-2-[2-(2-pyridyl)ethyl]butanoate
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Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)12(10(2)15)8-7-11-6-4-5-9-14-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKey HXTPGVVMOXURSQ-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C(C(=O)OCC)(CCc1ncccc1)C(=O)C
SPLASH splash10-05mp-1900000000-c53b0a42261281336068
Source of Spectrum O1-30-1505-2
Wiley ID 818744