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(S,S)-(-)-hydrobenzoin, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR, and 1 FTIR

(S,S)-(-)-hydrobenzoin, bis(pentafluoropropionate)
SpectraBase Compound ID GE9LxkvswtP
InChI InChI=1S/C20H12F10O4/c21-17(22,19(25,26)27)15(31)33-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)34-16(32)18(23,24)20(28,29)30/h1-10,13-14H
InChIKey BDVHDKWQMVEAOC-UHFFFAOYSA-N
Mol Weight 506.3 g/mol
Molecular Formula C20H12F10O4
Exact Mass 506.05759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5wYOSemftl
Name (S,S)-(-)-hydrobenzoin, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.057590492 u
Formula C20H12F10O4
InChI InChI=1S/C20H12F10O4/c21-17(22,19(25,26)27)15(31)33-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)34-16(32)18(23,24)20(28,29)30/h1-10,13-14H
InChIKey BDVHDKWQMVEAOC-UHFFFAOYSA-N
Molecular Weight 506.296 g/mol
SMILES C(C(OC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1)(OC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1