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1-(2-HYDROXY-2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPYL)-3,3-DIMETHYL-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
SpectraBase Compound ID Lt5vRLdYyAI
InChI InChI=1S/C17H19F6NO3/c1-14(2)7-9-5-12(26-3)13(27-4)6-10(9)11(24-14)8-15(25,16(18,19)20)17(21,22)23/h5-6,25H,7-8H2,1-4H3
InChIKey CTDBCRQWAIEQMN-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C17H19F6NO3
Exact Mass 399.126912 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVbQUMtZvbc
Name 1-(2-HYDROXY-2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPYL)-3,3-DIMETHYL-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19F6NO3
InChI InChI=1S/C17H19F6NO3/c1-14(2)7-9-5-12(26-3)13(27-4)6-10(9)11(24-14)8-15(25,16(18,19)20)17(21,22)23/h5-6,25H,7-8H2,1-4H3
InChIKey CTDBCRQWAIEQMN-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.D.SVIRIDOV, N.D.CHKANIKOV, M.V.GALAKHOV, YU.V.SHKLYAEV, B.B.ALEKSANDROV,M.S.GAVRILOV (1990) Izv.Akad.Nauk SSSR(Russ. Lang.): N6, 1405-1410.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6