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3-PERFLUOROHEPTYL-5-[N-(4-HYDROXY-1-METHYL-2-BUTENYL)AMINO]-1-PHENYLPYRAZOLE

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3-PERFLUOROHEPTYL-5-[N-(4-HYDROXY-1-METHYL-2-BUTENYL)AMINO]-1-PHENYLPYRAZOLE
SpectraBase Compound ID 2HeIVDgB9AG
InChI InChI=1S/C21H14F15N3O/c1-10(8-11(2)40)37-14-9-13(38-39(14)12-6-4-3-5-7-12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h3-9,40H,1-2H3/b11-8-,37-10+
InChIKey OPEXDKZSEGZZGZ-XBBBYKEUSA-N
Mol Weight 609.34 g/mol
Molecular Formula C21H14F15N3O
Exact Mass 609.089735 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5TFdVVTHXz
Name 3-PERFLUOROHEPTYL-5-[N-(4-HYDROXY-1-METHYL-2-BUTENYL)AMINO]-1-PHENYLPYRAZOLE
Comments -112.7:-122.0-RANGE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H14F15N3O
InChI InChI=1S/C21H14F15N3O/c1-10(8-11(2)40)37-14-9-13(38-39(14)12-6-4-3-5-7-12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h3-9,40H,1-2H3/b11-8-,37-10+
InChIKey OPEXDKZSEGZZGZ-XBBBYKEUSA-N
Instrument Name Bruker WH-90
Literature Reference JOELLE FABRON, RAPHAEL PASTOR, AIME CAMBON (1991) J.Fluor.Chem.: v.51, N1, 141-148.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported