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METHYL(4-TRIFLUOROMETHYLUMBELLIFERYL-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)URONATE
SpectraBase Compound ID AqttqHR2LCo
InChI InChI=1S/C23H21F3O12/c1-9(27)33-17-18(34-10(2)28)20(35-11(3)29)22(38-19(17)21(31)32-4)36-12-5-6-13-14(23(24,25)26)8-16(30)37-15(13)7-12/h5-8,17-20,22H,1-4H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey NYCDZXXODSUQQN-YIUJWAEMSA-N
Mol Weight 546.4 g/mol
Molecular Formula C23H21F3O12
Exact Mass 546.098511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbfyRmYOtW6
Name METHYL(4-TRIFLUOROMETHYLUMBELLIFERYL-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)URONATE
Comments 2 îþÞ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H21F3O12
InChI InChI=1S/C23H21F3O12/c1-9(27)33-17-18(34-10(2)28)20(35-11(3)29)22(38-19(17)21(31)32-4)36-12-5-6-13-14(23(24,25)26)8-16(30)37-15(13)7-12/h5-8,17-20,22H,1-4H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey NYCDZXXODSUQQN-YIUJWAEMSA-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, 1655-1658.
NMR Standard SEE COMMENT
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3