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N-TRIFLUOROACETYL-D-NEURAMINIC-ACID

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N-TRIFLUOROACETYL-D-NEURAMINIC-ACID
SpectraBase Compound ID L1Pe7fIdLxN
InChI InChI=1S/C11H16F3NO9/c12-11(13,14)8(20)15-5-3(17)1-10(23,9(21)22)24-7(5)6(19)4(18)2-16/h3-7,16-19,23H,1-2H2,(H,15,20)(H,21,22)/p-1/t3-,4+,5+,6+,7+,10-/m0/s1
InChIKey KDUKFELIEQWQND-GWGXJPQISA-M
Mol Weight 362.23 g/mol
Molecular Formula C11H15F3NO9
Exact Mass 362.069891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEunFjrOyIs
Name N-TRIFLUOROACETYL-D-NEURAMINIC-ACID
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15F3NO9
InChI InChI=1S/C11H16F3NO9/c12-11(13,14)8(20)15-5-3(17)1-10(23,9(21)22)24-7(5)6(19)4(18)2-16/h3-7,16-19,23H,1-2H2,(H,15,20)(H,21,22)/p-1/t3-,4+,5+,6+,7+,10-/m0/s1
InChIKey KDUKFELIEQWQND-GWGXJPQISA-M
Literature Reference Author A.J.HUMPHREY,C.FREMANN,P.CRITCHLEY,Y.MALYKH,R.SCHAUER,T.D.H. BUGG
Literature Reference Citation BIOORG.MED.CHEM.,10,3175(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00213-4
Molecular Weight 362.237 g/mol
Solvent D2O
Source File Reference UWSI24262