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N,N'-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-MORPHOLINE-4-CARBOXIMIDAMIDE-TRIFLUOROACETATE
SpectraBase Compound ID 5Q15Qq8zXFV
InChI InChI=1S/C33H47N3O19.C2HF3O2/c1-15(37)46-13-23-25(48-17(3)39)27(50-19(5)41)29(52-21(7)43)31(54-23)34-33(36-9-11-45-12-10-36)35-32-30(53-22(8)44)28(51-20(6)42)26(49-18(4)40)24(55-32)14-47-16(2)38;3-2(4,5)1(6)7/h23-32H,9-14H2,1-8H3,(H,34,35);(H,6,7)/t23-,24+,25-,26+,27+,28-,29-,30+,31-,32+;
InChIKey ICIHXZDMAOMCLL-AJUCDETKSA-N
Mol Weight 903.8 g/mol
Molecular Formula C35H48F3N3O21
Exact Mass 903.27324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjEy1iwWZnT
Name N,N'-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-MORPHOLINE-4-CARBOXIMIDAMIDE-TRIFLUOROACETATE
Compound Number 3-H(+)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H48F3N3O21
InChI InChI=1S/C33H47N3O19.C2HF3O2/c1-15(37)46-13-23-25(48-17(3)39)27(50-19(5)41)29(52-21(7)43)31(54-23)34-33(36-9-11-45-12-10-36)35-32-30(53-22(8)44)28(51-20(6)42)26(49-18(4)40)24(55-32)14-47-16(2)38;3-2(4,5)1(6)7/h23-32H,9-14H2,1-8H3,(H,34,35);(H,6,7)/t23-,24+,25-,26+,27+,28-,29-,30+,31-,32+;
InChIKey ICIHXZDMAOMCLL-AJUCDETKSA-N
Literature Reference Author G.TOTH,T.GATI,I.PINTER,J.KOVACS,R.HAESSNER
Literature Reference Citation MAGN.RES.CHEM.,39,283(2001)
Literature Reference DOI 10.1002/mrc.835
Molecular Weight 903.769 g/mol
Solvent CDCl3
Source File Reference UWSI24904