John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2N2ZRhe1rWN SpectraBase Spectrum ID=1iCkEXs6vUl

(accessed ).
2-(1,3-benzodioxol-5-yl)-1,1,1,4,4,4-hexafluoro-butane-2,3-diol
SpectraBase Compound ID 2N2ZRhe1rWN
InChI InChI=1S/C11H8F6O4/c12-10(13,14)8(18)9(19,11(15,16)17)5-1-2-6-7(3-5)21-4-20-6/h1-3,8,18-19H,4H2
InChIKey YRJQWDCVLPNAGM-UHFFFAOYSA-N
Mol Weight 318.17 g/mol
Molecular Formula C11H8F6O4
Exact Mass 318.032678 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iCkEXs6vUl
Name 2-(1,3-benzodioxol-5-yl)-1,1,1,4,4,4-hexafluorobutane-2,3-diol
Compound Number 16J
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Formula C11H8F6O4
InChI InChI=1S/C11H8F6O4/c12-10(13,14)8(18)9(19,11(15,16)17)5-1-2-6-7(3-5)21-4-20-6/h1-3,8,18-19H,4H2
InChIKey YRJQWDCVLPNAGM-UHFFFAOYSA-N
Literature Reference Author R.P.SINGH,J.M.LEITCH,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,66,1436(2001)
Literature Reference DOI 10.1021/jo0057304
Solvent CDCl3
Source File Reference UWMS25930
SpectraBase Batch ID GaU0G3lebyU