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1-(2-carboxy-2-hydroxyethyl)-1-ethyl-1,2,3,4,6,7-hexahydro-12H-indolo[2,3-a]quinolizin-5-ium perchlorate, ethyl ester
SpectraBase Compound ID 5JaXBX9L9Cz
InChI InChI=1S/C22H28N2O3.ClHO4/c1-3-22(14-18(25)21(26)27-4-2)11-7-12-24-13-10-16-15-8-5-6-9-17(15)23-19(16)20(22)24;2-1(3,4)5/h5-6,8-9,18,25H,3-4,7,10-14H2,1-2H3;(H,2,3,4,5)
InChIKey UNLIPWFSZYXYGK-UHFFFAOYSA-N
Mol Weight 468.93 g/mol
Molecular Formula C22H29ClN2O7
Exact Mass 468.166329 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hw5GNMLpGGL
Name 1-(2-CARBOXY-2-HYDROXYETHYL)-1-ETHYL-1,2,3,4,6,7-HEXAHYDRO-12H-INDOLO[2,3-a]QUINOLIZIN-5-IUM PERCHLORATE, ETHYL ESTER
Source of Sample G. Kalaus, Technical University of Budapest, Budapest, Hungary
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClN2O7
InChI InChI=1S/C22H28N2O3.ClHO4/c1-3-22(14-18(25)21(26)27-4-2)11-7-12-24-13-10-16-15-8-5-6-9-17(15)23-19(16)20(22)24;2-1(3,4)5/h5-6,8-9,18,25H,3-4,7,10-14H2,1-2H3;(H,2,3,4,5)
InChIKey UNLIPWFSZYXYGK-UHFFFAOYSA-N
Melting Point 214-215C
Molecular Weight 468.94
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 12H-INDOLO/2,3-A/QUINOLIZIN-5-IUM PERCHLORATE, 1-/2-CARBOXY-2-HYDROXYETHYL/-1-ETHYL-1,2,3,4,6,7-HEXAHYDRO-, ETHYL ESTER