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N-(ADAMANT-1-YL)-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)ANILINE
SpectraBase Compound ID 9auAvbIiX4Z
InChI InChI=1S/C20H24F3NO3/c1-27-17(25)19(26,20(21,22)23)15-2-4-16(5-3-15)24-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,24,26H,6-11H2,1H3/t12-,13+,14-,18-,19?
InChIKey NRNOZOZVRZYGMI-AWQCQJKISA-N
Mol Weight 383.41 g/mol
Molecular Formula C20H24F3NO3
Exact Mass 383.170828 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQMdGFahjS8
Name N-(ADAMANT-1-YL)-4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)ANILINE
Comments CARCAS STRUCTURE. SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24F3NO3
InChI InChI=1S/C20H24F3NO3/c1-27-17(25)19(26,20(21,22)23)15-2-4-16(5-3-15)24-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,24,26H,6-11H2,1H3/t12-,13+,14-,18-,19?
InChIKey NRNOZOZVRZYGMI-AWQCQJKISA-N
Instrument Name SEE COMMENT
Literature Reference V.D.SVIRIDOV, N.D.CHKANIKOV, A.B.SHAPIRO, N.V.KLIMOVA, B.M.PYATIN,A.F.KOLOMIETS, A.V.FOKIN (1989) Izv.Akad.Nauk SSSR(Russ. Lang.): N10, 2348-2350.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6