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(1R,3S) 2,3,4,9-Tetrahydro-3-carbamoyl.alpha.-ethoxycarbonyl-1H-pyrido(3,4-B)indole-1-butanoic acid, ethyl ester
SpectraBase Compound ID 1hKtmBpioN4
InChI InChI=1S/C21H27N3O5/c1-3-28-20(26)13(21(27)29-4-2)9-10-16-18-14(11-17(23-16)19(22)25)12-7-5-6-8-15(12)24-18/h5-8,13,16-17,23-24H,3-4,9-11H2,1-2H3,(H2,22,25)
InChIKey JFJLMCAECWCMRY-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C21H27N3O5
Exact Mass 401.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OXBDtWo9Wj
Name (1S,3S) 2,3,4,9-Tetrahydro-3-carbamoyl.alpha.-ethoxycarbonyl-1H-pyrido(3,4-B)indole-1-butanoic acid, ethyl ester
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Formula C21H27N3O5
InChI InChI=1S/C21H27N3O5/c1-3-28-20(26)13(21(27)29-4-2)9-10-16-18-14(11-17(23-16)19(22)25)12-7-5-6-8-15(12)24-18/h5-8,13,16-17,23-24H,3-4,9-11H2,1-2H3,(H2,22,25)
InChIKey JFJLMCAECWCMRY-UHFFFAOYSA-N
Instrument Name SF = 500 MHz
Literature Reference L.E. Overman, A.J. Robichaud, J. Am. Chem. Soc. 111, 300 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3