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3'-O-ACETYLTHYMIDINE-5'-(4-AMINOBUTYLAMIDO)PHOSPHATE, ANION
SpectraBase Compound ID BFYxh66uFmS
InChI InChI=1S/C16H27N4O8P/c1-10-8-20(16(23)19-15(10)22)14-7-12(27-11(2)21)13(28-14)9-26-29(24,25)18-6-4-3-5-17/h8,12-14H,3-7,9,17H2,1-2H3,(H2,18,24,25)(H,19,22,23)/p-1/t12-,13+,14+/m0/s1
InChIKey YWYYEJGVVAIGHT-BFHYXJOUSA-M
Mol Weight 433.38 g/mol
Molecular Formula C16H26N4O8P
Exact Mass 433.148826 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJqaVWc90rc
Name 3'-O-ACETYLTHYMIDINE-5'-(4-AMINOBUTYLAMIDO)PHOSPHATE, ANION
Comments , NAME DEFINED, H2O-27%
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H26N4O8P
InChI InChI=1S/C16H27N4O8P/c1-10-8-20(16(23)19-15(10)22)14-7-12(27-11(2)21)13(28-14)9-26-29(24,25)18-6-4-3-5-17/h8,12-14H,3-7,9,17H2,1-2H3,(H2,18,24,25)(H,19,22,23)/p-1/t12-,13+,14+/m0/s1
InChIKey YWYYEJGVVAIGHT-BFHYXJOUSA-M
Instrument Name Bruker HX-90
Literature Reference T.S.GODOVIKOVA, V.F.ZARYTOVA, L.M.KHALIMSKAYA (1986) Bioorganich.Khim.(Russ.Lang.): v.12, N4, 475-481.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMFA/H2O