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Methyl 4-o-acetyl-2,3-bis-o-(trifluoroacetyl)pentopyranoside

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

Methyl 4-o-acetyl-2,3-bis-o-(trifluoroacetyl)pentopyranoside
SpectraBase Compound ID 1azVyObAVuH
InChI InChI=1S/C12H12F6O8/c1-4(19)24-5-3-23-8(22-2)7(26-10(21)12(16,17)18)6(5)25-9(20)11(13,14)15/h5-8H,3H2,1-2H3
InChIKey ZEUAGYQFPVMVFG-UHFFFAOYSA-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 LsnFC3rPTDu
Name Methyl 4-o-acetyl-2,3-bis-o-(trifluoroacetyl)pentopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 398.043636316 u
Formula C12H12F6O8
InChI InChI=1S/C12H12F6O8/c1-4(19)24-5-3-23-8(22-2)7(26-10(21)12(16,17)18)6(5)25-9(20)11(13,14)15/h5-8H,3H2,1-2H3
InChIKey ZEUAGYQFPVMVFG-UHFFFAOYSA-N
Molecular Weight 398.210 g/mol
SMILES C1OC(C(C(C1OC(C)=O)OC(C(F)(F)F)=O)OC(=O)C(F)(F)F)OC