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3-[(5-carboxypentyl)carbamoyl]-3,5-dichloro-3,6-dihydro-4-methyl-2-methylene-6-oxo-1(2H)-pyridinehexanic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[(5-carboxypentyl)carbamoyl]-3,5-dichloro-3,6-dihydro-4-methyl-2-methylene-6-oxo-1(2H)-pyridinehexanic acid
SpectraBase Compound ID LWlbZIByJUl
InChI InChI=1S/C20H28Cl2N2O6/c1-13-17(21)18(29)24(12-8-4-6-10-16(27)28)14(2)20(13,22)19(30)23-11-7-3-5-9-15(25)26/h2-12H2,1H3,(H,23,30)(H,25,26)(H,27,28)
InChIKey MKIHKFQGTGLABV-UHFFFAOYSA-N
Mol Weight 463.36 g/mol
Molecular Formula C20H28Cl2N2O6
Exact Mass 462.132442 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1GPpMTXhbRd
Name 3-[(5-CARBOXYPENTYL)CARBAMOYL]-3,5-DICHLORO-3,6-DIHYDRO-4-METHYL-2-METHYLENE-6-O-OXO-1(2H)-PYRIDINEHEXANOIC ACID
Source of Sample W. Ehm, Farbenfabriken Bayer, Dormagen, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28Cl2N2O6
InChI InChI=1S/C20H28Cl2N2O6/c1-13-17(21)18(29)24(12-8-4-6-10-16(27)28)14(2)20(13,22)19(30)23-11-7-3-5-9-15(25)26/h2-12H2,1H3,(H,23,30)(H,25,26)(H,27,28)
InChIKey MKIHKFQGTGLABV-UHFFFAOYSA-N
Melting Point 154-156C
Molecular Weight 463.36
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIDINEHEXANOIC ACID, 1/2H/-, 6-///5-CARBOXYPENTYL/CARBAMOYL/METHYL/- 3,5-DICHLORO-4-METHYL-2-OXO-,