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(2S,3R)-1-Benzyloxy-4,4,4-trifluoro-2,3-butanediol

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(2S,3R)-1-Benzyloxy-4,4,4-trifluoro-2,3-butanediol
SpectraBase Compound ID 6Ef4Q7G355J
InChI InChI=1S/C11H13F3O3/c12-11(13,14)10(16)9(15)7-17-6-8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2/t9-,10+/m0/s1
InChIKey NVSJFSAMFZXTFX-VHSXEESVSA-N
Mol Weight 250.22 g/mol
Molecular Formula C11H13F3O3
Exact Mass 250.081679 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6fPEvDeQeFB
Name (2S,3R)-1-Benzyloxy-4,4,4-trifluoro-2,3-butanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.081678765 u
Formula C11H13F3O3
InChI InChI=1S/C11H13F3O3/c12-11(13,14)10(16)9(15)7-17-6-8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2/t9-,10+/m0/s1
InChIKey NVSJFSAMFZXTFX-VHSXEESVSA-N
Molecular Weight 250.217 g/mol
SMILES [C@@](O)(COCC1=CC=CC=C1)([C@@](O)(C(F)(F)F)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92483