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3-Ethyl-1-(tosyloxymethyl)-12b-.beta.-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizine
SpectraBase Compound ID 9LD7njMwFrN
InChI InChI=1S/C25H30N2O3S/c1-3-18-14-19(16-30-31(28,29)20-10-8-17(2)9-11-20)25-24-22(12-13-27(25)15-18)21-6-4-5-7-23(21)26-24/h4-11,18-19,25-26H,3,12-16H2,1-2H3/t18-,19+,25+/m0/s1
InChIKey BLYBSLDRWALEAU-OSWQYVSFSA-N
Mol Weight 438.59 g/mol
Molecular Formula C25H30N2O3S
Exact Mass 438.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0qzuRXFeZk
Name 3-Ethyl-1-(tosyloxymethyl)-12b-.beta.-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizine
Alternate Name(s) 3-Ethyl-1-(tosyloxymethyl)-12b-.beta.-indolo[2,3-a]quinolizine [(12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]methyl 4-methylbenzenesulfonate
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Formula C25H30N2O3S
InChI InChI=1S/C25H30N2O3S/c1-3-18-14-19(16-30-31(28,29)20-10-8-17(2)9-11-20)25-24-22(12-13-27(25)15-18)21-6-4-5-7-23(21)26-24/h4-11,18-19,25-26H,3,12-16H2,1-2H3/t18-,19+,25+/m0/s1
InChIKey BLYBSLDRWALEAU-OSWQYVSFSA-N
Molecular Weight 438.586 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C[C@](C[C@@]1(COS(c1ccc(cc1)C)(=O)=O)[H])(CC)[H])[H]
SPLASH splash10-014i-0190200000-b657438a060dab835f69
Source of Spectrum F-52-11373-21
Wiley ID 798461