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N-carboxyanthranilic acid, N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl} ester, N-tert-butyl ester, 1-potassium salt
SpectraBase Compound ID Ct0ledRDdvA
InChI InChI=1S/C23H27N3O7.K/c1-23(2,3)33-21(30)25-14-15-8-10-16(11-9-15)19(27)24-12-13-32-22(31)26-18-7-5-4-6-17(18)20(28)29;/h4-11H,12-14H2,1-3H3,(H,24,27)(H,25,30)(H,26,31)(H,28,29);/q;+1/p-1
InChIKey CNTFYAQBMSAAJI-UHFFFAOYSA-M
Mol Weight 495.57 g/mol
Molecular Formula C23H26KN3O7
Exact Mass 495.140782 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKS7Cwqvtzt
Name N-carboxyanthranilic acid, N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl} ester, N-tert-butyl ester, 1-potassium salt
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Formula C23H26KN3O7
InChI InChI=1S/C23H27N3O7.K/c1-23(2,3)33-21(30)25-14-15-8-10-16(11-9-15)19(27)24-12-13-32-22(31)26-18-7-5-4-6-17(18)20(28)29;/h4-11H,12-14H2,1-3H3,(H,24,27)(H,25,30)(H,26,31)(H,28,29);/q;+1/p-1
InChIKey CNTFYAQBMSAAJI-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 49081M
Solvent DMSO-d6