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3'-O-ACETYLDEOXYTHYMIDINE-5'-PHENYL(CYANOETHYL)PYROPHOSPHATE
SpectraBase Compound ID 8eiYgVEaAMZ
InChI InChI=1S/C21H25N3O12P2/c1-14-12-24(21(27)23-20(14)26)19-11-17(33-15(2)25)18(34-19)13-32-38(30,31-10-6-9-22)36-37(28,29)35-16-7-4-3-5-8-16/h3-5,7-8,12,17-19H,6,10-11,13H2,1-2H3,(H,28,29)(H,23,26,27)/t17-,18+,19+,38?/m0/s1
InChIKey ULXQZYFIMMCVEJ-MYQIQNJESA-N
Mol Weight 573.39 g/mol
Molecular Formula C21H25N3O12P2
Exact Mass 573.091347 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4htxjT5ZZm
Name 3'-O-ACETYLDEOXYTHYMIDINE-5'-PHENYL(CYANOETHYL)PYROPHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H25N3O12P2
InChI InChI=1S/C21H25N3O12P2/c1-14-12-24(21(27)23-20(14)26)19-11-17(33-15(2)25)18(34-19)13-32-38(30,31-10-6-9-22)36-37(28,29)35-16-7-4-3-5-8-16/h3-5,7-8,12,17-19H,6,10-11,13H2,1-2H3,(H,28,29)(H,23,26,27)/t17-,18+,19+,38?/m0/s1
InChIKey ULXQZYFIMMCVEJ-MYQIQNJESA-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