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(trans)-6-(Trifluoromethyl)-3,5-cyclohexadien-1,2-diol-1-carboxylate
SpectraBase Compound ID ClpwVOKGyUy
InChI InChI=1S/C9H9F3O4/c1-16-7(14)8(15)5(9(10,11)12)3-2-4-6(8)13/h2-4,6,13,15H,1H3/t6-,8-/m1/s1
InChIKey UBEKSZZKTOUCEK-HTRCEHHLSA-N
Mol Weight 238.16 g/mol
Molecular Formula C9H9F3O4
Exact Mass 238.045293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETugwPr65ll
Name (trans)-6-(Trifluoromethyl)-3,5-cyclohexadien-1,2-diol-1-carboxylate
Alternate Name(s) (1R,6R)-methyl 1,6-dihydroxy-2-(trifluoromethyl)cyclohexa-2,4-dienecarboxylate (1R,6R)-1,6-dihydroxy-2-(trifluoromethyl)-1-cyclohexa-2,4-dienecarboxylic acid methyl ester Methyl (1R,6R)-1,6-dihydroxy-2-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate Methyl (1R,6R)-1,6-bis(oxidanyl)-2-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate
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Formula C9H9F3O4
InChI InChI=1S/C9H9F3O4/c1-16-7(14)8(15)5(9(10,11)12)3-2-4-6(8)13/h2-4,6,13,15H,1H3/t6-,8-/m1/s1
InChIKey UBEKSZZKTOUCEK-HTRCEHHLSA-N
Molecular Weight 238.162 g/mol
SMILES O[C@@]1(C=CC=C([C@@]1(C(=O)OC)O)C(F)(F)F)[H]
SPLASH splash10-0in9-0910000000-31da62dae41967241660
Source of Spectrum F5-6-1258-9
Wiley ID 1733394