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1-AMINO-2-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)NAPHTHALENE

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1-AMINO-2-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)NAPHTHALENE
SpectraBase Compound ID 3OvfLi4Pcmd
InChI InChI=1S/C17H12F9NO4/c1-31-12(28)13(29,15(18,19)20)9-6-10(11(27)8-5-3-2-4-7(8)9)14(30,16(21,22)23)17(24,25)26/h2-6,29-30H,27H2,1H3
InChIKey FKGQFDGZPGNPMV-UHFFFAOYSA-N
Mol Weight 465.27 g/mol
Molecular Formula C17H12F9NO4
Exact Mass 465.062261 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jq3HK0ri3CQ
Name 1-AMINO-2-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)NAPHTHALENE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H12F9NO4
InChI InChI=1S/C17H12F9NO4/c1-31-12(28)13(29,15(18,19)20)9-6-10(11(27)8-5-3-2-4-7(8)9)14(30,16(21,22)23)17(24,25)26/h2-6,29-30H,27H2,1H3
InChIKey FKGQFDGZPGNPMV-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, V.D.SVIRIDOV, A.E.ZELENIN, M.V.GALAKHOV, A.F.KOLOMIETS,A.V.FOKIN (1990) Izv.Akad.Nauk SSSR(Russ. Lang.): N2, 383-389.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone