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4-TRIFLUOROMETHYLUMBELLIFERYL HEPTA-O-ACETYL-BETA-D-CELLOBIOSIDE
SpectraBase Compound ID 71Vlkzzn2e9
InChI InChI=1S/C36H39F3O20/c1-14(40)48-12-25-28(50-16(3)42)30(51-17(4)43)33(54-20(7)46)35(58-25)59-29-26(13-49-15(2)41)57-34(32(53-19(6)45)31(29)52-18(5)44)55-21-8-9-22-23(36(37,38)39)11-27(47)56-24(22)10-21/h8-11,25-26,28-35H,12-13H2,1-7H3/t25-,26-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1
InChIKey QYMNWIAZTWELBI-CPUIDEJKSA-N
Mol Weight 848.7 g/mol
Molecular Formula C36H39F3O20
Exact Mass 848.198678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg5oHEE71Rn
Name 4-TRIFLUOROMETHYLUMBELLIFERYL HEPTA-O-ACETYL-BETA-D-CELLOBIOSIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H39F3O20
InChI InChI=1S/C36H39F3O20/c1-14(40)48-12-25-28(50-16(3)42)30(51-17(4)43)33(54-20(7)46)35(58-25)59-29-26(13-49-15(2)41)57-34(32(53-19(6)45)31(29)52-18(5)44)55-21-8-9-22-23(36(37,38)39)11-27(47)56-24(22)10-21/h8-11,25-26,28-35H,12-13H2,1-7H3/t25-,26-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1
InChIKey QYMNWIAZTWELBI-CPUIDEJKSA-N
Instrument Name Bruker AM-300
Literature Reference YA.V.VOZNY, I.S.KALICHEVA, A.A.GALOYAN (1987) Bioorganich.Khim.(Russ. Lang.):v.13, N12, 1659-1664.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3