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Methyl R-4,4,4-trifluoro-3-hydroxy-3-(4'-methylphenyl)butanoate

View entire compound with spectra: 1 MS (GC)

Methyl R-4,4,4-trifluoro-3-hydroxy-3-(4'-methylphenyl)butanoate
SpectraBase Compound ID EqtCiWtX4P9
InChI InChI=1S/C12H13F3O3/c1-8-3-5-9(6-4-8)11(17,12(13,14)15)7-10(16)18-2/h3-6,17H,7H2,1-2H3/t11-/m1/s1
InChIKey YTWPVVQSEMQQGC-LLVKDONJSA-N
Mol Weight 262.23 g/mol
Molecular Formula C12H13F3O3
Exact Mass 262.081679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDCNYzAKFac
Name Methyl R-4,4,4-trifluoro-3-hydroxy-3-(4'-methylphenyl)butanoate
Alternate Name(s) Methyl (3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methylphenyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O3
InChI InChI=1S/C12H13F3O3/c1-8-3-5-9(6-4-8)11(17,12(13,14)15)7-10(16)18-2/h3-6,17H,7H2,1-2H3/t11-/m1/s1
InChIKey YTWPVVQSEMQQGC-LLVKDONJSA-N
Molecular Weight 262.228 g/mol
SMILES O[C@](C(F)(F)F)(CC(=O)OC)c1ccc(cc1)C
SPLASH splash10-014l-2900000000-6f33a58cf004e5db2b4b
Source of Spectrum K-127-578-41
Wiley ID 1265442