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N,N'-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1-METHYL-PIPERAZINE)-4-CARBOXIMIDAMIDE-TRIFLUOROACETATE
SpectraBase Compound ID 8HZhWrYDT4G
InChI InChI=1S/C34H50N4O18.C2HF3O2/c1-16(39)47-14-24-26(49-18(3)41)28(51-20(5)43)30(53-22(7)45)32(55-24)35-34(38-12-10-37(9)11-13-38)36-33-31(54-23(8)46)29(52-21(6)44)27(50-19(4)42)25(56-33)15-48-17(2)40;3-2(4,5)1(6)7/h24-33H,10-15H2,1-9H3,(H,35,36);(H,6,7)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-;/m1./s1
InChIKey PTVOXEPEUQMZIB-YZHJTVFNSA-N
Mol Weight 916.8 g/mol
Molecular Formula C36H51F3N4O20
Exact Mass 916.304875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AMUC3D1rbR
Name N,N'-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1-METHYL-PIPERAZINE)-4-CARBOXIMIDAMIDE-TRIFLUOROACETATE
Compound Number 4-H(+)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H51F3N4O20
InChI InChI=1S/C34H50N4O18.C2HF3O2/c1-16(39)47-14-24-26(49-18(3)41)28(51-20(5)43)30(53-22(7)45)32(55-24)35-34(38-12-10-37(9)11-13-38)36-33-31(54-23(8)46)29(52-21(6)44)27(50-19(4)42)25(56-33)15-48-17(2)40;3-2(4,5)1(6)7/h24-33H,10-15H2,1-9H3,(H,35,36);(H,6,7)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-;/m1./s1
InChIKey PTVOXEPEUQMZIB-YZHJTVFNSA-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 916.811 g/mol
Solvent CDCl3
Source File Reference UWSI24906