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tert butyl ester of 2.beta.-cyanomethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
SpectraBase Compound ID qBG3V2tUhg
InChI InChI=1S/C23H29N3O2/c1-14-20(22(27)28-23(2,3)4)15(9-11-24)13-19-21-17(10-12-26(14)19)16-7-5-6-8-18(16)25-21/h5-8,14-15,19-20,25H,9-10,12-13H2,1-4H3/t14-,15-,19?,20-/m1/s1
InChIKey OXBYIZJGEBXBFL-XCJBBSJJSA-N
Mol Weight 379.5 g/mol
Molecular Formula C23H29N3O2
Exact Mass 379.225977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CLMMZYs7M
Name tert butyl ester of 2.beta.-cyanomethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
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Formula C23H29N3O2
InChI InChI=1S/C23H29N3O2/c1-14-20(22(27)28-23(2,3)4)15(9-11-24)13-19-21-17(10-12-26(14)19)16-7-5-6-8-18(16)25-21/h5-8,14-15,19-20,25H,9-10,12-13H2,1-4H3/t14-,15-,19?,20-/m1/s1
InChIKey OXBYIZJGEBXBFL-XCJBBSJJSA-N
Molecular Weight 379.504 g/mol
SMILES [nH]1c2ccccc2c2CCN3C(c12)C[C@]([C@@]([C@]3(C)[H])(C(OC(C)(C)C)=O)[H])(CC#N)[H]
SPLASH splash10-0639-0419000000-bc0be89c6158e19fda13
Source of Spectrum K-111-1546-0
Synonyms tert-Butyl (2S,3S,4R)-2-(cyanomethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID 1359364