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L-(-)-fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 2)

View entire compound with spectra: 1 NMR

L-(-)-fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 2)
SpectraBase Compound ID 7jSBbaKY8T6
InChI InChI=1S/C21H15F12NO9/c1-9(40-14(35)18(22,23)24)12(42-16(37)20(28,29)30)13(43-17(38)21(31,32)33)11(41-15(36)19(25,26)27)7-34-39-8-10-5-3-2-4-6-10/h2-7,9,11-13H,8H2,1H3/b34-7-/t9-,11+,12+,13-/m0/s1
InChIKey NADUNPKOYVTNSH-QEMWWUSWSA-N
Mol Weight 653.33 g/mol
Molecular Formula C21H15F12NO9
Exact Mass 653.055519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1o8tJLVpmvu
Name L-(-)-fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 653.055519014 u
Formula C21H15F12NO9
InChI InChI=1S/C21H15F12NO9/c1-9(40-14(35)18(22,23)24)12(42-16(37)20(28,29)30)13(43-17(38)21(31,32)33)11(41-15(36)19(25,26)27)7-34-39-8-10-5-3-2-4-6-10/h2-7,9,11-13H,8H2,1H3/b34-7-/t9-,11+,12+,13-/m0/s1
InChIKey NADUNPKOYVTNSH-QEMWWUSWSA-N
Molecular Weight 653.330 g/mol
SMILES C(O\N=C/[C@](OC(C(F)(F)F)=O)([H])[C@]([H])(OC(C(F)(F)F)=O)[C@]([H])(OC(C(F)(F)F)=O)[C@@]([H])(OC(C(F)(F)F)=O)C)C1=CC=CC=C1