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3'-O-ACETYLTHYMIDINE-5'-(3-METHYLIMIDAZOLYL)PHOSPHATE, BETAINE
SpectraBase Compound ID 5xlPqscQCvk
InChI InChI=1S/C16H21N4O8P/c1-10-7-20(16(23)17-15(10)22)14-6-12(27-11(2)21)13(28-14)8-26-29(24,25)19-5-4-18(3)9-19/h4-5,7,9,12-14H,6,8H2,1-3H3,(H-,17,22,23,24,25)/t12-,13+,14+/m0/s1
InChIKey WLXWJKSXVSCXCJ-BFHYXJOUSA-N
Mol Weight 428.34 g/mol
Molecular Formula C16H21N4O8P
Exact Mass 428.109701 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy7VUl502yh
Name 3'-O-ACETYLTHYMIDINE-5'-(3-METHYLIMIDAZOLYL)PHOSPHATE, BETAINE
Comments , NAME DEFINED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21N4O8P
InChI InChI=1S/C16H21N4O8P/c1-10-7-20(16(23)17-15(10)22)14-6-12(27-11(2)21)13(28-14)8-26-29(24,25)19-5-4-18(3)9-19/h4-5,7,9,12-14H,6,8H2,1-3H3,(H-,17,22,23,24,25)/t12-,13+,14+/m0/s1
InChIKey WLXWJKSXVSCXCJ-BFHYXJOUSA-N
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 C3H7NO dimethylforma