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(2S,12BS)-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo(2,3-A)quinoziline 3-carboxylic acid, ethyl ester
SpectraBase Compound ID JmBTbZ2LRHH
InChI InChI=1S/C18H20N2O3/c1-2-23-18(22)13-7-8-15-16-12(9-10-20(15)17(13)21)11-5-3-4-6-14(11)19-16/h3-6,13,15,19H,2,7-10H2,1H3
InChIKey RUNGAODDBDNPAA-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHinuJTajQg
Name (2S,12BS)-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo(2,3-A)quinoziline 3-carboxylic acid, ethyl ester
Comments ISOMER 1, LOW FIELD SHIFTS
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Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c1-2-23-18(22)13-7-8-15-16-12(9-10-20(15)17(13)21)11-5-3-4-6-14(11)19-16/h3-6,13,15,19H,2,7-10H2,1H3
InChIKey RUNGAODDBDNPAA-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