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5-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-3,7-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
SpectraBase Compound ID EAPIVcu3Xvf
InChI InChI=1S/C18H10F15NO5/c1-39-10(35)11(36,14(19,20)21)5-2-6-8(13(38,17(28,29)30)18(31,32)33)4-34-9(6)7(3-5)12(37,15(22,23)24)16(25,26)27/h2-4,34,36-38H,1H3
InChIKey VHUUIRQRUHASFG-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 BApIFTjLjbN
Name 5-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-3,7-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
Comments J(C-F) MAY BE REASSIGNED. 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)5-2-6-8(13(38,17(28,29)30)18(31,32)33)4-34-9(6)7(3-5)12(37,15(22,23)24)16(25,26)27/h2-4,34,36-38H,1H3
InChIKey VHUUIRQRUHASFG-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