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THREO-(METHYL 2-HYDROXY-3-PHENYL-3-FLUOROBUTANOATE)
SpectraBase Compound ID KHWxPKdqS0i
InChI InChI=1S/C11H13FO3/c1-11(12,9(13)10(14)15-2)8-6-4-3-5-7-8/h3-7,9,13H,1-2H3/t9-,11-/m0/s1
InChIKey ZMMMHJZNJCRCEN-ONGXEEELSA-N
Mol Weight 212.22 g/mol
Molecular Formula C11H13FO3
Exact Mass 212.084872 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEFBFBESro4
Name THREO-(METHYL 2-HYDROXY-3-PHENYL-3-FLUOROBUTANOATE)
Comments SCALE INVERTED, STEREODESCRIPTORS ARE RELATIVE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H13FO3
InChI InChI=1S/C11H13FO3/c1-11(12,9(13)10(14)15-2)8-6-4-3-5-7-8/h3-7,9,13H,1-2H3/t9-,11-/m0/s1
InChIKey ZMMMHJZNJCRCEN-ONGXEEELSA-N
Instrument Name Bruker HX-90
Literature Reference A.I.AYI, M.REMLI, R.CONDOM, R.GUEDJ (1981) J.Fluor.Chem.: v.17, N6, 565-580.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d