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(1S,2R,3R,4S)-3-bromo-6-iodocyclohex-5-ene-1,2,4-triol
SpectraBase Compound ID FA312sByxaH
InChI InChI=1S/C6H8BrIO3/c7-4-3(9)1-2(8)5(10)6(4)11/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey FNRUDVLZAKFKEY-KCDKBNATSA-N
Mol Weight 334.94 g/mol
Molecular Formula C6H8BrIO3
Exact Mass 333.870152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HSChZx344
Name (1S,2R,3R,4S)-3-bromo-6-iodocyclohex-5-ene-1,2,4-triol
Alternate Name(s) (1S,2R,3R,4S)-3-bromanyl-6-iodanyl-cyclohex-5-ene-1,2,4-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8BrIO3
InChI InChI=1S/C6H8BrIO3/c7-4-3(9)1-2(8)5(10)6(4)11/h1,3-6,9-11H/t3-,4+,5+,6-/m0/s1
InChIKey FNRUDVLZAKFKEY-KCDKBNATSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 334.935 g/mol
SMILES O[C@@]1([C@@](C(=C[C@@]([C@]1(Br)[H])(O)[H])I)(O)[H])[H]
SPLASH splash10-03du-5790000000-5f2ab9b8dd2d924347a8
Source of Spectrum A1-11-4290/SMS4-15
Wiley ID 1757393