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Methyl 1'R,2S,3R-4,4,4-trifluoro-3-hydroxy-2-(1'-phenylethyl) butanoate
SpectraBase Compound ID 5aDdPbKduYU
InChI InChI=1S/C13H15F3O3/c1-8(9-6-4-3-5-7-9)10(12(18)19-2)11(17)13(14,15)16/h3-8,10-11,17H,1-2H3/t8-,10-,11+/m0/s1
InChIKey NZFDOXXBRANFTF-INTQDDNPSA-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 9MMBLD4B9fH
Name Methyl 1'R,2S,3R-4,4,4-trifluoro-3-hydroxy-2-(1'-phenylethyl) butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O3
InChI InChI=1S/C13H15F3O3/c1-8(9-6-4-3-5-7-9)10(12(18)19-2)11(17)13(14,15)16/h3-8,10-11,17H,1-2H3/t8-,10-,11+/m0/s1
InChIKey NZFDOXXBRANFTF-INTQDDNPSA-N
Molecular Weight 276.255 g/mol
SMILES O[C@@](C(F)(F)F)([C@@](C(=O)OC)([C@](c1ccccc1)(C)[H])[H])[H]
SPLASH splash10-0a6r-2910000000-eab2cbec064d855601cf
Source of Spectrum K-127-576-33
Synonyms Methyl (2S,3R)-4,4,4-trifluoro-3-hydroxy-2-[(1R)-1-phenylethyl]butanoate
Wiley ID 1279756