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3-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-5,7-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
SpectraBase Compound ID Hl3JF1l8Qz3
InChI InChI=1S/C18H10F15NO5/c1-39-10(35)11(36,14(19,20)21)8-4-34-9-6(8)2-5(12(37,15(22,23)24)16(25,26)27)3-7(9)13(38,17(28,29)30)18(31,32)33/h2-4,34,36-38H,1H3
InChIKey HJNNZZHUSOITDF-UHFFFAOYSA-N
Mol Weight 605.26 g/mol
Molecular Formula C18H10F15NO5
Exact Mass 605.031945 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kZERqZwLGz
Name 3-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-5,7-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H10F15NO5
InChI InChI=1S/C18H10F15NO5/c1-39-10(35)11(36,14(19,20)21)8-4-34-9-6(8)2-5(12(37,15(22,23)24)16(25,26)27)3-7(9)13(38,17(28,29)30)18(31,32)33/h2-4,34,36-38H,1H3
InChIKey HJNNZZHUSOITDF-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.E.ZELENIN, N.D.CHKANNIKOV, A.F.KOLOMIETS, A.V.FOKIN (1988) Izv.Akad.NaukSSSR(Russ. Lang.): N1, 121-127.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6