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1-(2-DEOXY-ALPHA-D-RIBOFURANOSYL)-5-(2-TRIFLUOROACETAMIDOHEXAFLUOROPROP-2-YL)URACIL
SpectraBase Compound ID 65a4QMwpsIY
InChI InChI=1S/C14H12F9N3O6/c15-12(16,17)9(30)25-11(13(18,19)20,14(21,22)23)4-2-26(10(31)24-8(4)29)7-1-5(28)6(3-27)32-7/h2,5-7,27-28H,1,3H2,(H,25,30)(H,24,29,31)/t5-,6+,7-/m0/s1
InChIKey HWQSJBGMFMDVNA-XVMARJQXSA-N
Mol Weight 489.25 g/mol
Molecular Formula C14H12F9N3O6
Exact Mass 489.058239 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yS7mkSDWes
Name 1-(2-DEOXY-ALPHA-D-RIBOFURANOSYL)-5-(2-TRIFLUOROACETAMIDOHEXAFLUOROPROP-2-YL)URACIL
Comments PANIC CALCULATIONS, A3B3 SYSTEM. SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H12F9N3O6
InChI InChI=1S/C14H12F9N3O6/c15-12(16,17)9(30)25-11(13(18,19)20,14(21,22)23)4-2-26(10(31)24-8(4)29)7-1-5(28)6(3-27)32-7/h2,5-7,27-28H,1,3H2,(H,25,30)(H,24,29,31)/t5-,6+,7-/m0/s1
InChIKey HWQSJBGMFMDVNA-XVMARJQXSA-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 CH4O methanol