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3-(2-HYDROXYHEXAFLUOROPROP-2-YL)-1-(BETA-D-GLUCOPYRANOSYL)INDOLE
SpectraBase Compound ID CTqqhjCDx4o
InChI InChI=1S/C17H17F6NO6/c18-16(19,20)15(29,17(21,22)23)8-5-24(9-4-2-1-3-7(8)9)14-13(28)12(27)11(26)10(6-25)30-14/h1-5,10-14,25-29H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey OQWMFSKVBOCUKL-RKQHYHRCSA-N
Mol Weight 445.31 g/mol
Molecular Formula C17H17F6NO6
Exact Mass 445.096006 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Zsf05JKI5g
Name 3-(2-HYDROXYHEXAFLUOROPROP-2-YL)-1-(BETA-D-GLUCOPYRANOSYL)INDOLE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17F6NO6
InChI InChI=1S/C17H17F6NO6/c18-16(19,20)15(29,17(21,22)23)8-5-24(9-4-2-1-3-7(8)9)14-13(28)12(27)11(26)10(6-25)30-14/h1-5,10-14,25-29H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey OQWMFSKVBOCUKL-RKQHYHRCSA-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