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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uZs4pCCHWy
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
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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
Instrument Name Varian CFT-20
Sadtler NMR Number 34393M
Solvent Polysol