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(-)-(8R,8aS)-8-Methyl-5-n-pentyl-6-(p-toluenesulfonyl)-.delta.-(5,6)-indolizidine
SpectraBase Compound ID 2qElYqBQb7y
InChI InChI=1S/C21H31NO2S/c1-4-5-6-8-20-21(15-17(3)19-9-7-14-22(19)20)25(23,24)18-12-10-16(2)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3/t17-,19+/m1/s1
InChIKey LETHYPJRRXSJIA-MJGOQNOKSA-N
Mol Weight 361.54 g/mol
Molecular Formula C21H31NO2S
Exact Mass 361.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzKs2X42YyF
Name (-)-(8R,8aS)-8-Methyl-5-n-pentyl-6-(p-toluenesulfonyl)-.delta.-(5,6)-indolizidine
Comments Less than 3 mono-isotopic peaks
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Formula C21H31NO2S
InChI InChI=1S/C21H31NO2S/c1-4-5-6-8-20-21(15-17(3)19-9-7-14-22(19)20)25(23,24)18-12-10-16(2)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3/t17-,19+/m1/s1
InChIKey LETHYPJRRXSJIA-MJGOQNOKSA-N
Molecular Weight 361.544 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C(N2CCC[C@]2([C@@](C1)(C)[H])[H])CCCCC
SPLASH splash10-0006-0090000000-1c88e73e470013d28d35
Source of Spectrum J-65-4550-18
Synonyms (8R,8aS)-8-methyl-5-pentyl-6-(p-tolylsulfonyl)-1,2,3,7,8,8a-hexahydroindolizine (8R,8aS)-8-methyl-6-(4-methylphenyl)sulfonyl-5-pentyl-1,2,3,7,8,8a-hexahydroindolizine
Wiley ID 1532726