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5-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-7-(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLINE
SpectraBase Compound ID 4rmePSQx122
InChI InChI=1S/C15H12F9NO4/c1-29-10(26)11(27,13(16,17)18)7-4-6-2-3-25-9(6)8(5-7)12(28,14(19,20)21)15(22,23)24/h4-5,25,27-28H,2-3H2,1H3
InChIKey URWWESIFIJIINR-UHFFFAOYSA-N
Mol Weight 441.25 g/mol
Molecular Formula C15H12F9NO4
Exact Mass 441.062261 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcbPER555r4
Name 5-(1-HYDROXY-1-METHOXYCARBONYLTRIFLUOROETHYL)-7-(2-HYDROXYHEXAFLUOROPROP-2-YL)INDOLINE
Comments ASSIGNMENT OF J(C-F) MAY BE EXCHANGED. SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H12F9NO4
InChI InChI=1S/C15H12F9NO4/c1-29-10(26)11(27,13(16,17)18)7-4-6-2-3-25-9(6)8(5-7)12(28,14(19,20)21)15(22,23)24/h4-5,25,27-28H,2-3H2,1H3
InChIKey URWWESIFIJIINR-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