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Ethyl 2S,3R-4,4,4-trifluoro-3-hydroxy-2-phenylbutyrate

View entire compound with spectra: 1 MS (GC)

Ethyl 2S,3R-4,4,4-trifluoro-3-hydroxy-2-phenylbutyrate
SpectraBase Compound ID 2idZexBD4Ca
InChI InChI=1S/C12H13F3O3/c1-2-18-11(17)9(10(16)12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10,16H,2H2,1H3/t9-,10+/m0/s1
InChIKey CEYDWTHQHBQNFH-VHSXEESVSA-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 6zcfRKC1mLQ
Name Ethyl 2S,3R-4,4,4-trifluoro-3-hydroxy-2-phenylbutyrate
Alternate Name(s) Ethyl (2S,3R)-4,4,4-trifluoro-3-hydroxy-2-phenylbutanoate
CAS Registry Number 139657-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O3
InChI InChI=1S/C12H13F3O3/c1-2-18-11(17)9(10(16)12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10,16H,2H2,1H3/t9-,10+/m0/s1
InChIKey CEYDWTHQHBQNFH-VHSXEESVSA-N
Molecular Weight 262.228 g/mol
SMILES O[C@@](C(F)(F)F)([C@@](C(=O)OCC)(c1ccccc1)[H])[H]
SPLASH splash10-01r6-4920000000-81b8fe8dbee5497ea5d2
Source of Spectrum K-125-1277-6
Wiley ID 1265441