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4,6-dimethyl-3,5-dinitro-2-oxo-1(2H)-pyridinehexanoic acid
SpectraBase Compound ID 5V6lBV7c2gi
InChI InChI=1S/C13H17N3O7/c1-8-11(15(20)21)9(2)14(13(19)12(8)16(22)23)7-5-3-4-6-10(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKey WDWPNESFXDEESL-UHFFFAOYSA-N
Mol Weight 327.29 g/mol
Molecular Formula C13H17N3O7
Exact Mass 327.10665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Y1CVdDraPo
Name 4,6-DIMETHYL-3,5-DINITRO-2-OXO-1(2H)-PYRIDINEHEXANOIC ACID
Source of Sample W. Ehm, Farbenfabriken Bayer, Dormagen, Germany
Comments From reaction of -OH with CDCl3; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O7
InChI InChI=1S/C13H17N3O7/c1-8-11(15(20)21)9(2)14(13(19)12(8)16(22)23)7-5-3-4-6-10(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKey WDWPNESFXDEESL-UHFFFAOYSA-N
Melting Point 141C
Molecular Weight 327.30
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIDINEHEXANOIC ACID, 1/2H/-, 4,6-DIMETHYL-3,5-DINITRO-2-OXO-,