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(1R,2R,3S,4S)-5-Chloro-5-cyclohexene-1,2,3,4-tetraol
SpectraBase Compound ID ICVWXFavty4
InChI InChI=1S/C6H9ClO4/c7-2-1-3(8)5(10)6(11)4(2)9/h1,3-6,8-11H/t3-,4-,5-,6-/m1/s1
InChIKey DVOJUTLIWKFDFE-KVTDHHQDSA-N
Mol Weight 180.59 g/mol
Molecular Formula C6H9ClO4
Exact Mass 180.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p5S1kEcu8
Name (1R,2R,3S,4S)-5-Chloro-5-cyclohexene-1,2,3,4-tetraol
Alternate Name(s) (1R,2R,3S,4S)-5-chlorocyclohex-5-ene-1,2,3,4-tetraol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9ClO4
InChI InChI=1S/C6H9ClO4/c7-2-1-3(8)5(10)6(11)4(2)9/h1,3-6,8-11H/t3-,4-,5-,6-/m1/s1
InChIKey DVOJUTLIWKFDFE-KVTDHHQDSA-N
Molecular Weight 180.587 g/mol
SMILES O[C@@]1(C=C([C@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])Cl)[H]
SPLASH splash10-00dl-9800000000-4e9badd7e49950057df5
Source of Spectrum F5-4-2213-5b
Wiley ID 1732794