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7-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-3,5-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
SpectraBase Compound ID 9mpVTbhta4Q
InChI InChI=1S/C18H10F15NO5/c1-39-10(35)11(36,14(19,20)21)7-3-5(12(37,15(22,23)24)16(25,26)27)2-6-8(4-34-9(6)7)13(38,17(28,29)30)18(31,32)33/h2-4,34,36-38H,1H3
InChIKey LXWFIZDPIKHCQR-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 B7pexHCe5ms
Name 7-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-3,5-BIS(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLE
Comments J(F-F) FOR PEAKS 2.10, 2.30 IS 9.9.HZ. ASSIGNMENT OF J(C-F) MAY BE;WP-200SY (BRUKER)
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Formula C18H10F15NO5
InChI InChI=1S/C18H10F15NO5/c1-39-10(35)11(36,14(19,20)21)7-3-5(12(37,15(22,23)24)16(25,26)27)2-6-8(4-34-9(6)7)13(38,17(28,29)30)18(31,32)33/h2-4,34,36-38H,1H3
InChIKey LXWFIZDPIKHCQR-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