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tert-Butyl ester of 2.beta.-chloromethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
SpectraBase Compound ID GQM6dqOUJr3
InChI InChI=1S/C22H29ClN2O2/c1-13-19(21(26)27-22(2,3)4)14(12-23)11-18-20-16(9-10-25(13)18)15-7-5-6-8-17(15)24-20/h5-8,13-14,18-19,24H,9-12H2,1-4H3/t13-,14+,18?,19-/m1/s1
InChIKey QAPDXQDHVQSREG-BJFKFPEYSA-N
Mol Weight 388.94 g/mol
Molecular Formula C22H29ClN2O2
Exact Mass 388.191756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dif1BJvpXQF
Name tert-Butyl ester of 2.beta.-chloromethyl-4.beta.-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3.alpha.-carboxylic acid
Alternate Name(s) tert-Butyl (2R,3S,4R)-2-(chloromethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate
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Formula C22H29ClN2O2
InChI InChI=1S/C22H29ClN2O2/c1-13-19(21(26)27-22(2,3)4)14(12-23)11-18-20-16(9-10-25(13)18)15-7-5-6-8-17(15)24-20/h5-8,13-14,18-19,24H,9-12H2,1-4H3/t13-,14+,18?,19-/m1/s1
InChIKey QAPDXQDHVQSREG-BJFKFPEYSA-N
Molecular Weight 388.939 g/mol
SMILES [nH]1c2ccccc2c2CCN3C(c12)C[C@]([C@@]([C@]3(C)[H])(C(OC(C)(C)C)=O)[H])(CCl)[H]
SPLASH splash10-03la-0279000000-aa65ccc38245345e3cfb
Source of Spectrum K-111-1546-0
Wiley ID 1363896