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(4S,5R,6R,7S)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-1,3-DIAZEPAN-2-(N-BUTYL)-IMINIUM-TRIFLUOROACETATE
SpectraBase Compound ID EeZbLh1gTzC
InChI InChI=1S/C11H23N3O4.C2HF3O2/c1-2-3-4-12-11-13-7(5-15)9(17)10(18)8(6-16)14-11;3-2(4,5)1(6)7/h7-10,15-18H,2-6H2,1H3,(H2,12,13,14);(H,6,7)/t7-,8-,9+,10+;/m0./s1
InChIKey AOZSCQBPEZODCZ-YNESSHQRSA-N
Mol Weight 375.35 g/mol
Molecular Formula C13H24F3N3O6
Exact Mass 375.16172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMJQn2sxlDK
Name (4S,5R,6R,7S)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-1,3-DIAZEPAN-2-(N-BUTYL)-IMINIUM-TRIFLUOROACETATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24F3N3O6
InChI InChI=1S/C11H23N3O4.C2HF3O2/c1-2-3-4-12-11-13-7(5-15)9(17)10(18)8(6-16)14-11;3-2(4,5)1(6)7/h7-10,15-18H,2-6H2,1H3,(H2,12,13,14);(H,6,7)/t7-,8-,9+,10+;/m0./s1
InChIKey AOZSCQBPEZODCZ-YNESSHQRSA-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 375.345 g/mol
Solvent CD3OD
Source File Reference UWVN20097