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(2R,3R,4S)-3-(Toluene-4-sulfonyl)-2-thia-3-aza-bicyclo[2.2.2]oct-5-ene 2-oxide
SpectraBase Compound ID 3YsQhnDOuUf
InChI InChI=1S/C13H15NO3S2/c1-10-2-8-13(9-3-10)19(16,17)14-11-4-6-12(7-5-11)18(14)15/h2-4,6,8-9,11-12H,5,7H2,1H3/t11-,12+,18?/m0/s1
InChIKey JJDGFDJOZGJLIT-AADFBRNSSA-N
Mol Weight 297.39 g/mol
Molecular Formula C13H15NO3S2
Exact Mass 297.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89Twdy4uFt7
Name (2R,3R,4S)-3-(Toluene-4-sulfonyl)-2-thia-3-aza-bicyclo[2.2.2]oct-5-ene 2-oxide
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Formula C13H15NO3S2
InChI InChI=1S/C13H15NO3S2/c1-10-2-8-13(9-3-10)19(16,17)14-11-4-6-12(7-5-11)18(14)15/h2-4,6,8-9,11-12H,5,7H2,1H3/t11-,12+,18?/m0/s1
InChIKey JJDGFDJOZGJLIT-AADFBRNSSA-N
Molecular Weight 297.387 g/mol
SMILES c1(S(N2[S@@+]([C@]3(CC[C@@]2(C=C3)[H])[H])[O-])(=O)=O)ccc(cc1)C
SPLASH splash10-001l-9210000000-657e2b6185fc76e06197
Source of Spectrum KD-13-2413-2
Synonyms (1R,2R,4R)-3-Tosyl-2.lambda.-4-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide 3-[(4-methylphenyl)sulfonyl]-2-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide
Wiley ID 1635624