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N-(ADAMANT-1-YL)-4-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)ANILINE
SpectraBase Compound ID 99r444r5i99
InChI InChI=1S/C19H21F6NO/c20-18(21,22)17(27,19(23,24)25)14-1-3-15(4-2-14)26-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,26-27H,5-10H2/t11-,12+,13-,16-
InChIKey QSRXMEZAVKPMML-WTHWONHRSA-N
Mol Weight 393.37 g/mol
Molecular Formula C19H21F6NO
Exact Mass 393.152733 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94blYljFZfc
Name N-(ADAMANT-1-YL)-4-(1-HYDROXY-1-TRIFLUOROMETHYL-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 C19H21F6NO
InChI InChI=1S/C19H21F6NO/c20-18(21,22)17(27,19(23,24)25)14-1-3-15(4-2-14)26-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,26-27H,5-10H2/t11-,12+,13-,16-
InChIKey QSRXMEZAVKPMML-WTHWONHRSA-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