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(1S,12bS)-1-(2',2'-Diethoxycarbonyl)-1-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SpectraBase Compound ID 2drYueXnPnM
InChI InChI=1S/C25H34N2O4/c1-4-25(16-19(23(28)30-5-2)24(29)31-6-3)13-9-14-27-15-12-18-17-10-7-8-11-20(17)26-21(18)22(25)27/h7-8,10-11,19,22,26H,4-6,9,12-16H2,1-3H3/t22-,25+/m1/s1
InChIKey SFKUSVLDCATJHU-RDGATRHJSA-N
Mol Weight 426.6 g/mol
Molecular Formula C25H34N2O4
Exact Mass 426.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRa3Sek1zd3
Name (1S,12bS)-1-(2',2'-Diethoxycarbonyl)-1-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Alternate Name(s) 2-[[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methyl]propanedioic acid diethyl ester Diethyl 2-[[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methyl]propanedioate
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Formula C25H34N2O4
InChI InChI=1S/C25H34N2O4/c1-4-25(16-19(23(28)30-5-2)24(29)31-6-3)13-9-14-27-15-12-18-17-10-7-8-11-20(17)26-21(18)22(25)27/h7-8,10-11,19,22,26H,4-6,9,12-16H2,1-3H3/t22-,25+/m1/s1
InChIKey SFKUSVLDCATJHU-RDGATRHJSA-N
Molecular Weight 426.557 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)CCC[C@]1(CC(C(=O)OCC)C(=O)OCC)CC)[H]
SPLASH splash10-016r-0942600000-7ec48c7b8801e3e693d8
Source of Spectrum H1-53-1708-10
Wiley ID 817907