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1,3,3a,4,5,6,8,8b-Octahydro-2-propyl-7-tosyl-2H,7H-isoindoyl[4,5-d]isothiazole - 3,3-Dioxide
SpectraBase Compound ID Jo4rqmE56L6
InChI InChI=1S/C19H26N2O4S2/c1-2-3-11-20-14-18-17-13-21(26(22,23)16-7-5-4-6-8-16)12-15(17)9-10-19(18)27(20,24)25/h4-8,18-19H,2-3,9-14H2,1H3/t18-,19-/m0/s1
InChIKey UOAOEVUIUIYIBZ-OALUTQOASA-N
Mol Weight 410.55 g/mol
Molecular Formula C19H26N2O4S2
Exact Mass 410.1334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8W5AxVHylME
Name 1,3,3a,4,5,6,8,8b-Octahydro-2-propyl-7-tosyl-2H,7H-isoindoyl[4,5-d]isothiazole - 3,3-Dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O4S2
InChI InChI=1S/C19H26N2O4S2/c1-2-3-11-20-14-18-17-13-21(26(22,23)16-7-5-4-6-8-16)12-15(17)9-10-19(18)27(20,24)25/h4-8,18-19H,2-3,9-14H2,1H3/t18-,19-/m0/s1
InChIKey UOAOEVUIUIYIBZ-OALUTQOASA-N
Molecular Weight 410.547 g/mol
SMILES C1N(S([C@@]2([C@@]1(C=1CN(CC1CC2)S(=O)(=O)c1ccccc1)[H])[H])(=O)=O)CCCC
SPLASH splash10-052f-4984000000-c57df84481e831e50d14
Source of Spectrum K1-2001-2291-51
Wiley ID 846491