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(2-R/S,3-S,4-R,5-R)-5-(HYDROXYMETHYL)-2,3,4-TRIHYDROXY-PIPERIDINE-TRIFLUOROACETATE;ALPHA-ANOMER
SpectraBase Compound ID 1RKi027iEqN
InChI InChI=1S/C6H13NO4.C2HF3O2/c8-2-3-1-7-6(11)5(10)4(3)9;3-2(4,5)1(6)7/h3-11H,1-2H2;(H,6,7)/t3-,4-,5+,6-;/m1./s1
InChIKey ARWLFQPUDBNDKP-PVCLPBLSSA-N
Mol Weight 277.196 g/mol
Molecular Formula C8H14F3NO6
Exact Mass 277.077322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjYB5RGxnq3
Name (2-R/S,3-S,4-R,5-R)-5-(HYDROXYMETHYL)-2,3,4-TRIHYDROXY-PIPERIDINE-TRIFLUOROACETATE;ALPHA-ANOMER
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14F3NO6
InChI InChI=1S/C6H13NO4.C2HF3O2/c8-2-3-1-7-6(11)5(10)4(3)9;3-2(4,5)1(6)7/h3-11H,1-2H2;(H,6,7)/t3-,4-,5+,6-;/m1./s1
InChIKey ARWLFQPUDBNDKP-PVCLPBLSSA-N
Literature Reference Author H.LIU,X.LIANG,H.SOHOEL,A.BUELOW,M.BOLS
Literature Reference Citation J.AM.CHEM.SOC.,123,5116(2001)
Literature Reference DOI 10.1021/ja010240u
Molecular Weight 277.197 g/mol
Solvent D2O
Source File Reference UWMZ15428