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5-(1-HYDROXY-1-CARBOMETHOXYTRIFLUOROETHYL)-1-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)INDOLE (DIASTEREOMER MIXTURE)]
SpectraBase Compound ID BOUI0KBqZrY
InChI InChI=1S/C26H28F3NO12/c1-12(31)38-11-19-20(39-13(2)32)21(40-14(3)33)22(41-15(4)34)23(42-19)30-9-8-16-10-17(6-7-18(16)30)25(36,24(35)37-5)26(27,28)29/h6-10,19-23,36H,11H2,1-5H3/t19-,20-,21+,22-,23-,25?/m1/s1
InChIKey BMWKYZOZWIYCOR-BNTGFRRDSA-N
Mol Weight 603.5 g/mol
Molecular Formula C26H28F3NO12
Exact Mass 603.15636 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aT299h8Egt
Name 5-(1-HYDROXY-1-CARBOMETHOXYTRIFLUOROETHYL)-1-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)INDOLE (DIASTEREOMER MIXTURE)]
Comments I(2.73):I(2.70)=2:1. SCALE INVERTED;WP-200SY (BRUKER)
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Formula C26H28F3NO12
InChI InChI=1S/C26H28F3NO12/c1-12(31)38-11-19-20(39-13(2)32)21(40-14(3)33)22(41-15(4)34)23(42-19)30-9-8-16-10-17(6-7-18(16)30)25(36,24(35)37-5)26(27,28)29/h6-10,19-23,36H,11H2,1-5H3/t19-,20-,21+,22-,23-,25?/m1/s1
InChIKey BMWKYZOZWIYCOR-BNTGFRRDSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, A.E.ZELENIN, N.L.BRONDZ, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN(1986) Izv.Akad.Nauk SSSR(Russ. Lang.): N10, 2290-2295.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo