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3'-O-METHYLTHIO(2-CYANOETHOXY)PHOSPHORYL-2'-DEOXY-N4-BENZOYLCYTIDINE
SpectraBase Compound ID DeajDZGObyz
InChI InChI=1S/C20H23N4O7PS/c1-33-32(28,29-11-5-9-21)31-15-12-18(30-16(15)13-25)24-10-8-17(23-20(24)27)22-19(26)14-6-3-2-4-7-14/h2-4,6-8,10,15-16,18,25H,5,11-13H2,1H3,(H,22,23,26,27)/t15-,16+,18+,32?/m0/s1
InChIKey UYISNNOOKBCNPT-QNAHQFGDSA-N
Mol Weight 494.46 g/mol
Molecular Formula C20H23N4O7PS
Exact Mass 494.102507 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUUcHcE1bAf
Name 3'-O-METHYLTHIO(2-CYANOETHOXY)PHOSPHORYL-2'-DEOXY-N4-BENZOYLCYTIDINE
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 C20H23N4O7PS
InChI InChI=1S/C20H23N4O7PS/c1-33-32(28,29-11-5-9-21)31-15-12-18(30-16(15)13-25)24-10-8-17(23-20(24)27)22-19(26)14-6-3-2-4-7-14/h2-4,6-8,10,15-16,18,25H,5,11-13H2,1H3,(H,22,23,26,27)/t15-,16+,18+,32?/m0/s1
InChIKey UYISNNOOKBCNPT-QNAHQFGDSA-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