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1-(5-carboxypentyl)-3,5-dibromo-4-methyl-2-methylene-6-oxo-1,2,3,6-tetrahydronicotinic acid
SpectraBase Compound ID 8XssZlSWxKe
InChI InChI=1S/C14H17Br2NO5/c1-8-11(15)12(20)17(7-5-3-4-6-10(18)19)9(2)14(8,16)13(21)22/h2-7H2,1H3,(H,18,19)(H,21,22)
InChIKey UYNKFCXPDWDLDB-UHFFFAOYSA-N
Mol Weight 439.1 g/mol
Molecular Formula C14H17Br2NO5
Exact Mass 436.947349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZDp7YyvIq0
Name 1-(5-CARBOXYPENTYL)-3,5-DIBROMO-4-METHYL-2-METHYLENE-6-OXO-1,2,3,6-TETRAHYDRONICOTINIC ACID
Source of Sample W. Ehm, Farbenfabriken Bayer, Dormagen, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17Br2NO5
InChI InChI=1S/C14H17Br2NO5/c1-8-11(15)12(20)17(7-5-3-4-6-10(18)19)9(2)14(8,16)13(21)22/h2-7H2,1H3,(H,18,19)(H,21,22)
InChIKey UYNKFCXPDWDLDB-UHFFFAOYSA-N
Melting Point 158-162C
Molecular Weight 439.11
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIDINEHEXANOIC ACID, 1/2H/-, 6-/CARBOXYMETHYL/-3,5-DIBROMO-4-METHYL- 2-OXO-,