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(1R*,2S*,3S*,4S*)-5,5-difluoro-1-methylcyclohexane-1,2,3,4-tetraol
SpectraBase Compound ID 7jq4MUwi1cH
InChI InChI=1S/C7H12F2O4/c1-6(13)2-7(8,9)5(12)3(10)4(6)11/h3-5,10-13H,2H2,1H3/t3-,4-,5-,6+/m0/s1
InChIKey DSUMZXBHYQLSTQ-OMMKOOBNSA-N
Mol Weight 198.17 g/mol
Molecular Formula C7H12F2O4
Exact Mass 198.070365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k20x7PABDA
Name (1R*,2S*,3S*,4S*)-5,5-difluoro-1-methylcyclohexane-1,2,3,4-tetraol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12F2O4
InChI InChI=1S/C7H12F2O4/c1-6(13)2-7(8,9)5(12)3(10)4(6)11/h3-5,10-13H,2H2,1H3/t3-,4-,5-,6+/m0/s1
InChIKey DSUMZXBHYQLSTQ-OMMKOOBNSA-N
Molecular Weight 198.166 g/mol
SMILES O[C@@]1([C@@](C(C[C@]([C@]1(O)[H])(O)C)(F)F)(O)[H])[H]
SPLASH splash10-03di-0900000000-c4f0e05fc4a013175a81
Source of Spectrum F4-40-3917-23bb
Wiley ID 1671508