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3'-O-ACETYLDEOXYTHYMIDINE, 5'-(4-TRITYLAMINOPHENYL)PHOSPHATE,PYRIDINIUM SALT
SpectraBase Compound ID WRpkn5cy0e
InChI InChI=1S/C37H36N3O9P.C5H5N/c1-25-23-40(36(43)38-35(25)42)34-22-32(47-26(2)41)33(48-34)24-46-50(44,45)49-31-20-18-30(19-21-31)39-37(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;1-2-4-6-5-3-1/h3-21,23,32-34,39H,22,24H2,1-2H3,(H,44,45)(H,38,42,43);1-5H/t32-,33+,34+;/m0./s1
InChIKey HBEGJIHTMIGAHB-CFNLNGMWSA-N
Mol Weight 776.8 g/mol
Molecular Formula C42H41N4O9P
Exact Mass 776.261116 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Nn3MG0PRYu
Name 3'-O-ACETYLDEOXYTHYMIDINE, 5'-(4-TRITYLAMINOPHENYL)PHOSPHATE,PYRIDINIUM 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 C42H41N4O9P
InChI InChI=1S/C37H36N3O9P.C5H5N/c1-25-23-40(36(43)38-35(25)42)34-22-32(47-26(2)41)33(48-34)24-46-50(44,45)49-31-20-18-30(19-21-31)39-37(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;1-2-4-6-5-3-1/h3-21,23,32-34,39H,22,24H2,1-2H3,(H,44,45)(H,38,42,43);1-5H/t32-,33+,34+;/m0./s1
InChIKey HBEGJIHTMIGAHB-CFNLNGMWSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (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