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2-Benzyl-4,4,4-trifluoro-3-hydroxybutyric acid, ethyl ester

View entire compound with spectra: 2 MS (GC)

2-Benzyl-4,4,4-trifluoro-3-hydroxybutyric acid, ethyl ester
SpectraBase Compound ID 6MWwWg6rH4d
InChI InChI=1S/C13H15F3O3/c1-2-19-12(18)10(11(17)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10-11,17H,2,8H2,1H3
InChIKey YMHWEWFUYFIUAC-UHFFFAOYSA-N
Mol Weight 276.26 g/mol
Molecular Formula C13H15F3O3
Exact Mass 276.097329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uvK0XNof0D
Name 2-Benzyl-4,4,4-trifluoro-3-hydroxybutyric acid, ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O3
InChI InChI=1S/C13H15F3O3/c1-2-19-12(18)10(11(17)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10-11,17H,2,8H2,1H3
InChIKey YMHWEWFUYFIUAC-UHFFFAOYSA-N
Molecular Weight 276.255 g/mol
SMILES OC(C(Cc1ccccc1)C(=O)OCC)C(F)(F)F
SPLASH splash10-0036-8920000000-db0b06422e765ef73f3f
Synonyms 4,4,4-trifluoro-3-hydroxy-2-(phenylmethyl)butanoic acid ethyl ester Ethyl 2-benzyl-4,4,4-trifluoro-3-hydroxy-butanoate Ethyl 4,4,4-tris(fluoranyl)-3-oxidanyl-2-(phenylmethyl)butanoate Ethyl 2-benzyl-4,4,4-trifluoro-3-hydroxybutanoate
Wiley ID 1484683