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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-butenyl)-, 2,2-dioxide, [3aR-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID 8OqUHF9szoa
InChI InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10?,11?,14-/m0/s1
InChIKey BKPQKSSKLBTRJO-VGGPEKPPSA-N
Mol Weight 283.39 g/mol
Molecular Formula C14H21NO3S
Exact Mass 283.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CNPz5oYC42
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-butenyl)-, 2,2-dioxide, [3aR-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 94594-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3S
InChI InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10?,11?,14-/m0/s1
InChIKey BKPQKSSKLBTRJO-VGGPEKPPSA-N
Molecular Weight 283.386 g/mol
SMILES C12N(S(C[C@]11C(C(C2)CC1)(C)C)(=O)=O)C(\C=C\C)=O
SPLASH splash10-014i-9120000000-7f6a4559bc76b7c7f837
Source of Spectrum F-42-4039-11
Synonyms ((E)-2-butenoyl)-(7R)-10,10-dimethyl-5-thia-4-azatricyclo[5.2.1.0(3,7)]decane-5,5-dioxide (2E)-1-[(1R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-buten-1-one
Wiley ID 1286824