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5'-(N-ANISOYL-5'-ANILIDOPHOSPHATOYLDEOXYCYTIDIN-3'-YLOXYPHOSPHORYL)-N-ANISOYLDEOXYCYTIDINE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID HGUsSLqzywL
InChI InChI=1S/C40H43N7O16P2.C6H15N/c1-57-27-12-8-24(9-13-27)37(49)41-33-16-18-46(39(51)43-33)35-20-29(48)31(61-35)22-60-65(55,56)63-30-21-36(62-32(30)23-59-64(53,54)45-26-6-4-3-5-7-26)47-19-17-34(44-40(47)52)42-38(50)25-10-14-28(58-2)15-11-25;1-4-7(5-2)6-3/h3-19,29-32,35-36,48H,20-23H2,1-2H3,(H,55,56)(H2,45,53,54)(H,41,43,49,51)(H,42,44,50,52);4-6H2,1-3H3/t29-,30-,31+,32+,35+,36+;/m0./s1
InChIKey LEHWHEXDBGUBGR-VSGJMNRUSA-N
Mol Weight 1041.0 g/mol
Molecular Formula C46H58N8O16P2
Exact Mass 1040.344602 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaVZQYkbbF4
Name 5'-(N-ANISOYL-5'-ANILIDOPHOSPHATOYLDEOXYCYTIDIN-3'-YLOXYPHOSPHORYL)-N-ANISOYLDEOXYCYTIDINE, TRIETHYLAMMONIUM SALT
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H58N8O16P2
InChI InChI=1S/C40H43N7O16P2.C6H15N/c1-57-27-12-8-24(9-13-27)37(49)41-33-16-18-46(39(51)43-33)35-20-29(48)31(61-35)22-60-65(55,56)63-30-21-36(62-32(30)23-59-64(53,54)45-26-6-4-3-5-7-26)47-19-17-34(44-40(47)52)42-38(50)25-10-14-28(58-2)15-11-25;1-4-7(5-2)6-3/h3-19,29-32,35-36,48H,20-23H2,1-2H3,(H,55,56)(H2,45,53,54)(H,41,43,49,51)(H,42,44,50,52);4-6H2,1-3H3/t29-,30-,31+,32+,35+,36+;/m0./s1
InChIKey LEHWHEXDBGUBGR-VSGJMNRUSA-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 C5H5N pyridine