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1-(Tosyloxymethyl)indolo[2,3-a]quinolizidine isomer
SpectraBase Compound ID JynlhOav2EH
InChI InChI=1S/C23H26N2O3S/c1-16-8-10-18(11-9-16)29(26,27)28-15-17-5-4-13-25-14-12-20-19-6-2-3-7-21(19)24-22(20)23(17)25/h2-3,6-11,17,23-24H,4-5,12-15H2,1H3/t17-,23+/m1/s1
InChIKey JCXCIKBUJFKPRB-HXOBKFHXSA-N
Mol Weight 410.53 g/mol
Molecular Formula C23H26N2O3S
Exact Mass 410.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3vwQDtJJbQ
Name 1-(Tosyloxymethyl)indolo[2,3-a]quinolizidine isomer
Comments Less than 3 mono-isotopic peaks
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Formula C23H26N2O3S
InChI InChI=1S/C23H26N2O3S/c1-16-8-10-18(11-9-16)29(26,27)28-15-17-5-4-13-25-14-12-20-19-6-2-3-7-21(19)24-22(20)23(17)25/h2-3,6-11,17,23-24H,4-5,12-15H2,1H3/t17-,23+/m1/s1
InChIKey JCXCIKBUJFKPRB-HXOBKFHXSA-N
Molecular Weight 410.532 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)CCC[C@@]1(COS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-000i-0090100000-65bd0b9ccd0f1af7a305
Source of Spectrum F-52-9929-11
Synonyms (1S, 12bS)- 1-(Tosyloxymethyl)indolo[2,3-a]quinolizidine isomer 4-methylbenzenesulfonic acid [(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]methyl ester [(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]methyl 4-methylbenzenesulfonate
Wiley ID 797863