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(1S,2R,3R,4S)-3-bromo-6-chlorocyclohex-5-ene-1,2,4-triol
SpectraBase Compound ID 3OVMRvvnl2f
InChI InChI=1S/C6H8BrClO3/c7-4-3(9)1-2(8)5(10)6(4)11/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey CRPWIFWQDKVRLI-KCDKBNATSA-N
Mol Weight 243.48 g/mol
Molecular Formula C6H8BrClO3
Exact Mass 241.934535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K31HfWTofAw
Name (1S,2R,3R,4S)-3-bromo-6-chlorocyclohex-5-ene-1,2,4-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8BrClO3
InChI InChI=1S/C6H8BrClO3/c7-4-3(9)1-2(8)5(10)6(4)11/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey CRPWIFWQDKVRLI-KCDKBNATSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 243.484 g/mol
SMILES O[C@@]1([C@@](C(=C[C@@]([C@]1(Br)[H])(O)[H])Cl)(O)[H])[H]
SPLASH splash10-0h9v-9510000000-5bd45cc3d8da347190ae
Source of Spectrum A1-11-4290/SMS3-13
Wiley ID 1757391