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(1S,12bR)-1-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-pyrido[2,1-a]$b-carboline-12-carboxylic acid tert-butyl ester
SpectraBase Compound ID 659GtMa3OX3
InChI InChI=1S/C22H27N3O2/c1-22(2,3)27-21(26)25-18-9-5-4-8-16(18)17-11-14-24-13-6-7-15(10-12-23)19(24)20(17)25/h4-5,8-9,15,19H,6-7,10-11,13-14H2,1-3H3/t15-,19+/m0/s1
InChIKey IRCGNBVHZAGAKS-HNAYVOBHSA-N
Mol Weight 365.48 g/mol
Molecular Formula C22H27N3O2
Exact Mass 365.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dCkxeSy4QF
Name (1S,12bR)-1-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylic acid tert-butyl ester
Alternate Name(s) (1S,12bR)-1-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-pyrido[2,1-a]$b-carboline-12-carboxylic acid tert-butyl ester tert-Butyl (1S,12bR)-1-(cyanomethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylate
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Formula C22H27N3O2
InChI InChI=1S/C22H27N3O2/c1-22(2,3)27-21(26)25-18-9-5-4-8-16(18)17-11-14-24-13-6-7-15(10-12-23)19(24)20(17)25/h4-5,8-9,15,19H,6-7,10-11,13-14H2,1-3H3/t15-,19+/m0/s1
InChIKey IRCGNBVHZAGAKS-HNAYVOBHSA-N
Molecular Weight 365.477 g/mol
SMILES c12[n](c3c(c2CCN2[C@@]1([C@](CC#N)(CCC2)[H])[H])cccc3)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-0139000000-f6d31d7c9a3372a29139
Source of Spectrum H1-51-1129-10
Wiley ID 817127