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tert butyl ester of 2.beta.-(1,3-dithian-2-ylmethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin -3-carboxylic acid

View entire compound with spectra: 1 MS (GC)

tert butyl ester of 2.beta.-(1,3-dithian-2-ylmethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin -3-carboxylic acid
SpectraBase Compound ID 6K9P30kwAkT
InChI InChI=1S/C26H36N2O2S2/c1-16-23(25(29)30-26(2,3)4)17(15-22-31-12-7-13-32-22)14-21-24-19(10-11-28(16)21)18-8-5-6-9-20(18)27-24/h5-6,8-9,16-17,21-23,27H,7,10-15H2,1-4H3/t16?,17-,21?,23?/m0/s1
InChIKey IFXCRSPEHZUQLK-JZAJYOHJSA-N
Mol Weight 472.7 g/mol
Molecular Formula C26H36N2O2S2
Exact Mass 472.221821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16fq0rihczR
Name tert butyl ester of 2.beta.-(1,3-dithian-2-ylmethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin -3-carboxylic acid
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Formula C26H36N2O2S2
InChI InChI=1S/C26H36N2O2S2/c1-16-23(25(29)30-26(2,3)4)17(15-22-31-12-7-13-32-22)14-21-24-19(10-11-28(16)21)18-8-5-6-9-20(18)27-24/h5-6,8-9,16-17,21-23,27H,7,10-15H2,1-4H3/t16?,17-,21?,23?/m0/s1
InChIKey IFXCRSPEHZUQLK-JZAJYOHJSA-N
Molecular Weight 472.706 g/mol
SMILES [nH]1c2ccccc2c2CCN3C(c12)C[C@](C(C3C)C(OC(C)(C)C)=O)(CC1SCCCS1)[H]
SPLASH splash10-03k9-0011900000-f1db31ca0a3cc6a70fac
Source of Spectrum K-111-1547-0
Synonyms tert-Butyl (2S)-2-(1,3-dithian-2-ylmethyl)-4-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID 1393369