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1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-(2-AMINOHEXAFLUOROPROP-2-YL)URACIL
SpectraBase Compound ID GXjJ2xhLNDi
InChI InChI=1S/C12H13F6N3O5/c13-11(14,15)10(19,12(16,17)18)4-2-21(9(25)20-8(4)24)7-1-5(23)6(3-22)26-7/h2,5-7,22-23H,1,3,19H2,(H,20,24,25)/t5-,6+,7+/m0/s1
InChIKey NTLDPLRNCGRVMU-RRKCRQDMSA-N
Mol Weight 393.24 g/mol
Molecular Formula C12H13F6N3O5
Exact Mass 393.07594 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cfu2PiNdbZI
Name 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-(2-AMINOHEXAFLUOROPROP-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 C12H13F6N3O5
InChI InChI=1S/C12H13F6N3O5/c13-11(14,15)10(19,12(16,17)18)4-2-21(9(25)20-8(4)24)7-1-5(23)6(3-22)26-7/h2,5-7,22-23H,1,3,19H2,(H,20,24,25)/t5-,6+,7+/m0/s1
InChIKey NTLDPLRNCGRVMU-RRKCRQDMSA-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