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6-keto-7-(2-pyridyl)hept-2-ynoic acid methyl ester
SpectraBase Compound ID 1gMHtUIJbp7
InChI InChI=1S/C13H13NO3/c1-17-13(16)8-3-2-7-12(15)10-11-6-4-5-9-14-11/h4-6,9H,2,7,10H2,1H3
InChIKey GIPLGGOHTOZRBF-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gy7WUcYNZr
Name 6-keto-7-(2-pyridyl)hept-2-ynoic acid methyl ester
Alternate Name(s) 6-Oxo-7-(2-pyridinyl)-2-heptynoic acid methyl ester Methyl 6-oxidanylidene-7-pyridin-2-yl-hept-2-ynoate Methyl 6-oxo-7-(2-pyridyl)hept-2-ynoate Methyl 6-oxo-7-pyridin-2-ylhept-2-ynoate
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Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-17-13(16)8-3-2-7-12(15)10-11-6-4-5-9-14-11/h4-6,9H,2,7,10H2,1H3
InChIKey GIPLGGOHTOZRBF-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C(#CCCC(Cc1ncccc1)=O)C(=O)OC
SPLASH splash10-0006-9110000000-1b530875197189c934d1
Source of Spectrum K1-2000-533-8
Wiley ID 749645