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dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-6-bromo-3-(4-methylphenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol

View entire compound with spectra: 1 MS (GC)

dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-6-bromo-3-(4-methylphenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol
SpectraBase Compound ID 1KZFhbPApVy
InChI InChI=1S/C13H14BrNO4S/c1-6-2-4-7(5-3-6)20(17,18)15-9-10(15)13-12(19-13)8(14)11(9)16/h2-5,8-13,16H,1H3/t8-,9+,10+,11+,12+,13+,15?/m0/s1
InChIKey QTDLVYGPPQMBAW-RHWAQZLASA-N
Mol Weight 360.22 g/mol
Molecular Formula C13H14BrNO4S
Exact Mass 358.982692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kzN9swUUPQ
Name dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-6-bromo-3-(4-methylphenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol
CAS Registry Number 112346-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrNO4S
InChI InChI=1S/C13H14BrNO4S/c1-6-2-4-7(5-3-6)20(17,18)15-9-10(15)13-12(19-13)8(14)11(9)16/h2-5,8-13,16H,1H3/t8-,9+,10+,11+,12+,13+,15?/m0/s1
InChIKey QTDLVYGPPQMBAW-RHWAQZLASA-N
Molecular Weight 360.222 g/mol
SMILES O[C@]1([C@@]2(N([C@]2([C@@]2([C@@]([H])([C@]1(Br)[H])O2)[H])[H])S(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-052f-9641000000-325167459489e71622b9
Source of Spectrum K-121-768-18
Synonyms (1R,2R,4S,5S,6S,7R)-5-bromo-8-[(4-methylphenyl)sulfonyl]-3-oxa-8-azatricyclo[5.1.0.0(2,4)]octan-6-ol
Wiley ID 1347620