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1,5-Anhydro-D-sorbitol, tetrakis(trifluoroacetate)

View entire compound with spectra: 1 NMR

1,5-Anhydro-D-sorbitol, tetrakis(trifluoroacetate)
SpectraBase Compound ID LjDpROSKddo
InChI InChI=1S/C14H8F12O9/c15-11(16,17)7(27)32-1-3-5(34-9(29)13(21,22)23)6(35-10(30)14(24,25)26)4(2-31-3)33-8(28)12(18,19)20/h3-6H,1-2H2
InChIKey MBBRCPSEFKECJI-UHFFFAOYSA-N
Mol Weight 548.19 g/mol
Molecular Formula C14H8F12O9
Exact Mass 547.99767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ym1m8ijhUj
Name 1,5-Anhydro-D-sorbitol, tetrakis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 547.997669785 u
Formula C14H8F12O9
InChI InChI=1S/C14H8F12O9/c15-11(16,17)7(27)32-1-3-5(34-9(29)13(21,22)23)6(35-10(30)14(24,25)26)4(2-31-3)33-8(28)12(18,19)20/h3-6H,1-2H2
InChIKey MBBRCPSEFKECJI-UHFFFAOYSA-N
Molecular Weight 548.190 g/mol
SMILES C1(C(C(C(OC1)COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O