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3H-3a,6-Methano-2,1-benzisothiazole, 1-(2,3-dimethyl-1-oxoheptyl)hexahydro-8,8-dimethyl-, 2,2-dioxide, [3aS-[1(2S*,3R*),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID 7kKMoZZQEpx
InChI InChI=1S/C19H33NO3S/c1-6-7-8-13(2)14(3)17(21)20-16-11-15-9-10-19(16,18(15,4)5)12-24(20,22)23/h13-16H,6-12H2,1-5H3/t13-,14+,15+,16-,19-/m1/s1
InChIKey HWPBNPNJWHGPTK-LAIHZFQQSA-N
Mol Weight 355.5 g/mol
Molecular Formula C19H33NO3S
Exact Mass 355.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jhg6uhhfNSu
Name 3H-3a,6-Methano-2,1-benzisothiazole, 1-(2,3-dimethyl-1-oxoheptyl)hexahydro-8,8-dimethyl-, 2,2-dioxide, [3aS-[1(2S*,3R*),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 108462-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO3S
InChI InChI=1S/C19H33NO3S/c1-6-7-8-13(2)14(3)17(21)20-16-11-15-9-10-19(16,18(15,4)5)12-24(20,22)23/h13-16H,6-12H2,1-5H3/t13-,14+,15+,16-,19-/m1/s1
InChIKey HWPBNPNJWHGPTK-LAIHZFQQSA-N
Molecular Weight 355.537 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@]([C@@](CCCC)(C)[H])(C)[H])=O)[H]
SPLASH splash10-05fr-9300000000-948911242c1a7c523b26
Source of Spectrum F-45-485-7
Synonyms (1S,5R,7R)-4-[(2S,3R)-2,3-dimethylheptanoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N[(2S,3R)-2,3-dimethylheptanoyl]bornane-10,2-sultam
Wiley ID 1345237