John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3DlXHNbvQcS SpectraBase Spectrum ID=11g2gZpy2f2

(accessed ).
(S-P)-CYTIDINE-3',5'-PHOSPHOROTHIOATE
SpectraBase Compound ID 3DlXHNbvQcS
InChI InChI=1S/C9H12N3O6PS/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(17-8)3-16-19(15,20)18-7/h1-2,4,6-8,13H,3H2,(H,15,20)(H2,10,11,14)/t4?,6-,7?,8-,19?/m0/s1
InChIKey XEESFMZKIHKRBW-RSBLHNPXSA-N
Mol Weight 321.24 g/mol
Molecular Formula C9H12N3O6PS
Exact Mass 321.018446 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11g2gZpy2f2
Name (S-P)-CYTIDINE-3',5'-PHOSPHOROTHIOATE
Compound Number 6B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N3O6PS
InChI InChI=1S/C9H12N3O6PS/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(17-8)3-16-19(15,20)18-7/h1-2,4,6-8,13H,3H2,(H,15,20)(H2,10,11,14)/t4?,6-,7?,8-,19?/m0/s1
InChIKey XEESFMZKIHKRBW-RSBLHNPXSA-N
Literature Reference Author E.DEVROOM,G.A.VANDERMAREL,J.H.VANBOOM
Literature Reference Citation REC.TR.CH.P.-B.,106,577(1987)
Solvent D2O
Source File Reference UWCS14286
SpectraBase Batch ID xMuRfLH8GY