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(3aRS,5SR,7aSR)-5-Methyl-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
SpectraBase Compound ID 4GJT4O8yKh1
InChI InChI=1S/C16H21NO2S/c1-12-4-7-16(8-5-12)20(18,19)17-10-14-6-3-13(2)9-15(14)11-17/h3-8,13-15H,9-11H2,1-2H3/t13-,14-,15+/m0/s1
InChIKey XTFBZVZFQIZBHG-SOUVJXGZSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3IGUW8sCTc
Name (3aRS,5SR,7aSR)-5-Methyl-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
Alternate Name(s) (3aS,5R,7aR)-5-methyl-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole (3aS,5R,7aR)-5-methyl-2-(p-tolylsulfonyl)-1,3,3a,4,5,7a-hexahydroisoindole (3aS,5R,7aR)-5-methyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4,5,7a-hexahydroisoindole
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-12-4-7-16(8-5-12)20(18,19)17-10-14-6-3-13(2)9-15(14)11-17/h3-8,13-15H,9-11H2,1-2H3/t13-,14-,15+/m0/s1
InChIKey XTFBZVZFQIZBHG-SOUVJXGZSA-N
Literature Reference DOI 10.1002/adsc.201100658
Molecular Weight 291.409 g/mol
SMILES C1N(S(=O)(c2ccc(C)cc2)=O)C[C@@]2(C=C[C@@](C[C@]12[H])(C)[H])[H]
SPLASH splash10-0006-9100000000-f5e7b16857b9e86fbeda
Source of Spectrum ASC-353-3357/SM11-rac_2b
Wiley ID 1762535