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dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-6-bromo-3-(phenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol
SpectraBase Compound ID 7H4jyH9R5ji
InChI InChI=1S/C12H12BrNO4S/c13-7-10(15)8-9(12-11(7)18-12)14(8)19(16,17)6-4-2-1-3-5-6/h1-5,7-12,15H/t7-,8+,9-,10-,11+,12-,14?/m0/s1
InChIKey ZXLYOYQPJSQCJB-IWADGLSKSA-N
Mol Weight 346.2 g/mol
Molecular Formula C12H12BrNO4S
Exact Mass 344.967042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzwZM9PkiFW
Name dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,6.alpha.,7.alpha.)-6-bromo-3-(phenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol
Alternate Name(s) (1S,2S,4S,5S,6R,7R)-5-bromo-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]octan-6-ol
CAS Registry Number 112346-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12BrNO4S
InChI InChI=1S/C12H12BrNO4S/c13-7-10(15)8-9(12-11(7)18-12)14(8)19(16,17)6-4-2-1-3-5-6/h1-5,7-12,15H/t7-,8+,9-,10-,11+,12-,14?/m0/s1
InChIKey ZXLYOYQPJSQCJB-IWADGLSKSA-N
Molecular Weight 346.195 g/mol
SMILES O[C@@]1([C@@]2(N([C@@]2([C@]2([C@@]([H])([C@]1(Br)[H])O2)[H])[H])S(=O)(=O)c1ccccc1)[H])[H]
SPLASH splash10-00kf-0915000000-80f34d7487af7eeffd53
Source of Spectrum K-121-768-18
Wiley ID 1338463