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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-[(2,2,5-trimethyl-1,3-dioxolan-4-yl)carbonyl]-, 2,2-dioxide, [3aS-[1(4R*,5R*),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID 4dvyL2jo9zk
InChI InChI=1S/C17H27NO5S/c1-10-13(23-16(4,5)22-10)14(19)18-12-8-11-6-7-17(12,15(11,2)3)9-24(18,20)21/h10-13H,6-9H2,1-5H3/t10-,11+,12?,13-,17+/m1/s1
InChIKey KTQFLHVINXRUHS-MCYHDDLWSA-N
Mol Weight 357.47 g/mol
Molecular Formula C17H27NO5S
Exact Mass 357.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45HumhHSj9W
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-[(2,2,5-trimethyl-1,3-dioxolan-4-yl)carbonyl]-, 2,2-dioxide, [3aS-[1(4R*,5R*),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 115014-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO5S
InChI InChI=1S/C17H27NO5S/c1-10-13(23-16(4,5)22-10)14(19)18-12-8-11-6-7-17(12,15(11,2)3)9-24(18,20)21/h10-13H,6-9H2,1-5H3/t10-,11+,12?,13-,17+/m1/s1
InChIKey KTQFLHVINXRUHS-MCYHDDLWSA-N
Molecular Weight 357.465 g/mol
SMILES C(N1S(C[C@@]23C([C@](CC13)(CC2)[H])(C)C)(=O)=O)([C@@]1(OC(C)(C)O[C@@]1(C)[H])[H])=O
SPLASH splash10-014i-2901000000-de8d98a28fb22d25f659
Source of Spectrum H-70-1672-6
Synonyms 10,10-dimethyl-4-{[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]carbonyl}-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carbonyl]bornane-10,2-sultam
Wiley ID 1346380