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(1S,2R,3R,4S)-3,6-dibromocyclohex-5-ene-1,2,4-triol
SpectraBase Compound ID Fn8MkDiHc9w
InChI InChI=1S/C6H8Br2O3/c7-2-1-3(9)4(8)6(11)5(2)10/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey RNRQWTIKPHYVFT-KCDKBNATSA-N
Mol Weight 287.94 g/mol
Molecular Formula C6H8Br2O3
Exact Mass 285.88402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13I3pj2aHo
Name (1S,2R,3R,4S)-3,6-dibromocyclohex-5-ene-1,2,4-triol
Alternate Name(s) (1S,2R,3R,4S)-3,6-bis(bromanyl)cyclohex-5-ene-1,2,4-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8Br2O3
InChI InChI=1S/C6H8Br2O3/c7-2-1-3(9)4(8)6(11)5(2)10/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey RNRQWTIKPHYVFT-KCDKBNATSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 287.935 g/mol
SMILES O[C@@]1([C@@](C(=C[C@@]([C@]1(Br)[H])(O)[H])Br)(O)[H])[H]
SPLASH splash10-0f8c-9800000000-2ef8463ca8c46ff61ab9
Source of Spectrum A1-11-4290/SMS4-14
Wiley ID 1757392