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5-(2-TRIFLUOROACETAMIDOHEXAFLUOROPROP-2-YL)URACIL
SpectraBase Compound ID 62odt8UXonJ
InChI InChI=1S/C9H4F9N3O3/c10-7(11,12)4(23)21-6(8(13,14)15,9(16,17)18)2-1-19-5(24)20-3(2)22/h1H,(H,21,23)(H2,19,20,22,24)
InChIKey WRFGDYPNHUYFGB-UHFFFAOYSA-N
Mol Weight 373.13 g/mol
Molecular Formula C9H4F9N3O3
Exact Mass 373.010894 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vVemwBqqrB
Name 5-(2-TRIFLUOROACETAMIDOHEXAFLUOROPROP-2-YL)URACIL
Comments PANIC CALCULATIONS. SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H4F9N3O3
InChI InChI=1S/C9H4F9N3O3/c10-7(11,12)4(23)21-6(8(13,14)15,9(16,17)18)2-1-19-5(24)20-3(2)22/h1H,(H,21,23)(H2,19,20,22,24)
InChIKey WRFGDYPNHUYFGB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference S.YA.MEL'NIK, A.A.BAKHMEDOVA, I.V.YARTSEVA, M.V.KOCHETKOVA,M.N.PREOBRAZHENSKAYA, V.D.SVIRIDOV, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN(1987) Bioorganich.Khim.(Russ. Lang.): v.13, N7, 934-939.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H6SO dimethylsulfo