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3'-O-METHYLTHIO(2-CYANOETHOXY)PHOSPHORYL-2'-DEOXY-N6-BENZOYLADENINE
SpectraBase Compound ID Lh3VokZ1QES
InChI InChI=1S/C21H23N6O6PS/c1-35-34(30,31-9-5-8-22)33-15-10-17(32-16(15)11-28)27-13-25-18-19(23-12-24-20(18)27)26-21(29)14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17,28H,5,9-11H2,1H3,(H,23,24,26,29)/t15-,16+,17+,34?/m0/s1
InChIKey GDIOXDDDPRCULK-MKUKMPODSA-N
Mol Weight 518.48 g/mol
Molecular Formula C21H23N6O6PS
Exact Mass 518.113741 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40CjF8IyJoB
Name 3'-O-METHYLTHIO(2-CYANOETHOXY)PHOSPHORYL-2'-DEOXY-N6-BENZOYLADENINE
Comments , TWO-DIASTEREOMER MIDDLE VALUE OF CHEMICAL SHIFT. NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23N6O6PS
InChI InChI=1S/C21H23N6O6PS/c1-35-34(30,31-9-5-8-22)33-15-10-17(32-16(15)11-28)27-13-25-18-19(23-12-24-20(18)27)26-21(29)14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17,28H,5,9-11H2,1H3,(H,23,24,26,29)/t15-,16+,17+,34?/m0/s1
InChIKey GDIOXDDDPRCULK-MKUKMPODSA-N
Instrument Name Bruker HX-90
Literature Reference V.P.KUMAREV, L.V.BARANOVA, V.S.BOGACHEV, A.V.LEBEDEV, L.V.OBUKHOVA (1986)Bioorganich.Khim.(Russ. Lang.): v.12, N10, 1348-1358.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported