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3'-O-ACETYLDEOXYTHYMIDINE, 5'-(4-CHLOROPHENYL)PHOSPHATE, PYRIDINIUMSALT
SpectraBase Compound ID BRCP4lFNw0N
InChI InChI=1S/C18H20ClN2O9P.C5H5N/c1-10-8-21(18(24)20-17(10)23)16-7-14(28-11(2)22)15(29-16)9-27-31(25,26)30-13-5-3-12(19)4-6-13;1-2-4-6-5-3-1/h3-6,8,14-16H,7,9H2,1-2H3,(H,25,26)(H,20,23,24);1-5H/t14-,15+,16+;/m0./s1
InChIKey CRUZQDIMFBHXTK-FUQNERGOSA-N
Mol Weight 553.89 g/mol
Molecular Formula C23H25ClN3O9P
Exact Mass 553.101694 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsPw332h2nT
Name 3'-O-ACETYLDEOXYTHYMIDINE, 5'-(4-CHLOROPHENYL)PHOSPHATE, PYRIDINIUMSALT
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H25ClN3O9P
InChI InChI=1S/C18H20ClN2O9P.C5H5N/c1-10-8-21(18(24)20-17(10)23)16-7-14(28-11(2)22)15(29-16)9-27-31(25,26)30-13-5-3-12(19)4-6-13;1-2-4-6-5-3-1/h3-6,8,14-16H,7,9H2,1-2H3,(H,25,26)(H,20,23,24);1-5H/t14-,15+,16+;/m0./s1
InChIKey CRUZQDIMFBHXTK-FUQNERGOSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH2Cl2 methylene chl