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1-(5-carboxypentyl)-4-methyl-2-methylene-6-oxo-1,2,3,6-tetrahydronicotinic acid
SpectraBase Compound ID JhZwCt0DZjd
InChI InChI=1S/C14H19NO5/c1-9-8-11(16)15(10(2)13(9)14(19)20)7-5-3-4-6-12(17)18/h8,13H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKey LMWLYKDFTKPNQL-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRFGv4mxcTI
Name 1-(5-CARBOXYPENTYL)-4-METHYL-2-METHYLENE-6-OXO-1,2,3,6-TETRAHYDRONICOTINIC ACID
Source of Sample W. Ehm, Farbenfabriken Bayer, Dormagen, Germany
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-9-8-11(16)15(10(2)13(9)14(19)20)7-5-3-4-6-12(17)18/h8,13H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKey LMWLYKDFTKPNQL-UHFFFAOYSA-N
Melting Point 140-142C
Molecular Weight 281.31
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIDINEHEXANOIC ACID, 1/2H/-, 6-/CARBOXYMETHYL/-4-METHYL-2-OXO-,