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(1R*,2R*,3R*)-1,2-Dibromo-3-tosylcyclohexane
SpectraBase Compound ID DQYNUvCZaoM
InChI InChI=1S/C13H16Br2O2S/c1-9-5-7-10(8-6-9)18(16,17)12-4-2-3-11(14)13(12)15/h5-8,11-13H,2-4H2,1H3/t11-,12-,13+/m1/s1
InChIKey WDOCEFIRBYBGHM-UPJWGTAASA-N
Mol Weight 396.14 g/mol
Molecular Formula C13H16Br2O2S
Exact Mass 393.923777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yKb5tNFR61
Name (1R*,2R*,3R*)-1,2-Dibromo-3-tosylcyclohexane
Alternate Name(s) (1R,2R,3R)-2,3-dibromocyclohexyl 4-methylphenyl sulfone 1-{[(1R,2R,3R)-2,3-dibromocyclohexyl]sulfonyl}-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16Br2O2S
InChI InChI=1S/C13H16Br2O2S/c1-9-5-7-10(8-6-9)18(16,17)12-4-2-3-11(14)13(12)15/h5-8,11-13H,2-4H2,1H3/t11-,12-,13+/m1/s1
InChIKey WDOCEFIRBYBGHM-UPJWGTAASA-N
Molecular Weight 396.137 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]([C@](Br)(CCC1)[H])(Br)[H])[H]
SPLASH splash10-004i-9000000000-0cb4c0614be69f8fa0e9
Source of Spectrum F-47-6346-2
Wiley ID 1366405