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(4R,5R,6R,7R)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-1,3-DIAZEPAN-2-IMINIUM-TRIFLUOROACETATE
SpectraBase Compound ID 59CAdGzQlQ5
InChI InChI=1S/C7H15N3O4.C2HF3O2/c8-7-9-3(1-11)5(13)6(14)4(2-12)10-7;3-2(4,5)1(6)7/h3-6,11-14H,1-2H2,(H3,8,9,10);(H,6,7)/t3-,4-,5-,6-;/m1./s1
InChIKey SMPIZPVNGUVALV-MVNLRXSJSA-N
Mol Weight 319.24 g/mol
Molecular Formula C9H16F3N3O6
Exact Mass 319.09912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GONz8cRg53z
Name (4R,5R,6R,7R)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-1,3-DIAZEPAN-2-IMINIUM-TRIFLUOROACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16F3N3O6
InChI InChI=1S/C7H15N3O4.C2HF3O2/c8-7-9-3(1-11)5(13)6(14)4(2-12)10-7;3-2(4,5)1(6)7/h3-6,11-14H,1-2H2,(H3,8,9,10);(H,6,7)/t3-,4-,5-,6-;/m1./s1
InChIKey SMPIZPVNGUVALV-MVNLRXSJSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 319.238 g/mol
Solvent D2O
Source File Reference UWVN20095