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(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
SpectraBase Compound ID 4TfpF6XDrL6
InChI InChI=1S/C10H8F6O2/c11-9(12,13)6-1-5(8(18)4-17)2-7(3-6)10(14,15)16/h1-3,8,17-18H,4H2/t8-/m1/s1
InChIKey ZYRIXOYHYHPJKQ-MRVPVSSYSA-N
Mol Weight 274.16 g/mol
Molecular Formula C10H8F6O2
Exact Mass 274.042848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYLuTJlfN7S
Name (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8F6O2
InChI InChI=1S/C10H8F6O2/c11-9(12,13)6-1-5(8(18)4-17)2-7(3-6)10(14,15)16/h1-3,8,17-18H,4H2/t8-/m1/s1
InChIKey ZYRIXOYHYHPJKQ-MRVPVSSYSA-N
Literature Reference Author S.A.WEISSMAN,K.ROSSEN,P.J.REIDER
Literature Reference Citation ORG.LETTERS,3,2513(2001)
Literature Reference DOI 10.1021/ol016167u
Molecular Weight 274.163 g/mol
Solvent DMSO-D6
Source File Reference UWLU35771