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2-METHYL-3-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2,3-BUTANEDIOL
SpectraBase Compound ID 7YNYsJpFSW5
InChI InChI=1S/C12H15F3O2/c1-10(2,16)11(3,17)8-5-4-6-9(7-8)12(13,14)15/h4-7,16-17H,1-3H3
InChIKey MCSMGLKXYJEHKC-UHFFFAOYSA-N
Mol Weight 248.25 g/mol
Molecular Formula C12H15F3O2
Exact Mass 248.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vIjCnCUL2
Name 2-Methyl-3-(m-trifluoromethylphenyl)-butan-2,3-diol
Alternate Name(s) 2-Methyl-3-(3-(trifluoromethyl)phenyl)butane-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15F3O2
InChI InChI=1S/C12H15F3O2/c1-10(2,16)11(3,17)8-5-4-6-9(7-8)12(13,14)15/h4-7,16-17H,1-3H3
InChIKey MCSMGLKXYJEHKC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19973390111
Molecular Weight 248.245 g/mol
SMILES OC(C(O)(c1cccc(c1)C(F)(F)F)C)(C)C
SPLASH splash10-053u-8690000000-ec19a010257f5cbf9103
Source of Spectrum JF-399-76-9d
Wiley ID 1768270