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.beta.-D-Xylopyranoside, methyl 2-o-acetyl-3,4-di-o-(trifluoroacetyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.beta.-D-Xylopyranoside, methyl 2-o-acetyl-3,4-di-o-(trifluoroacetyl)-
SpectraBase Compound ID A7ZNhKI0ioN
InChI InChI=1S/C12H12F6O8/c1-4(19)24-7-6(26-10(21)12(16,17)18)5(3-23-8(7)22-2)25-9(20)11(13,14)15/h5-8H,3H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey DIVDPBQNEIRUKF-ULAWRXDQSA-N
Mol Weight 398.21 g/mol
Molecular Formula C12H12F6O8
Exact Mass 398.043636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CR2MaaXsyQA
Name .beta.-D-Xylopyranoside, methyl 2-o-acetyl-3,4-di-o-(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.043636316 u
Formula C12H12F6O8
InChI InChI=1S/C12H12F6O8/c1-4(19)24-7-6(26-10(21)12(16,17)18)5(3-23-8(7)22-2)25-9(20)11(13,14)15/h5-8H,3H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey DIVDPBQNEIRUKF-ULAWRXDQSA-N
Molecular Weight 398.210 g/mol
SMILES C1O[C@]([C@@]([C@]([C@@]1(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(=O)C)[H])(OC)[H]