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2'-DEOXYCYTIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT

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2'-DEOXYCYTIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
SpectraBase Compound ID 4n6sTuFVRmL
InChI InChI=1S/C9H14N3O6PS.2H3N/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20);2*1H3/t5-,6+,8+;;/m0../s1
InChIKey FZFCZFIHZXXBKM-CDNBRZBRSA-N
Mol Weight 349.258 g/mol
Molecular Formula C9H12N5O6PS
Exact Mass 349.024591 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASAGkuyNz5x
Name 2'-DEOXYCYTIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
Compound Number 5B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N5O6PS
InChI InChI=1S/C9H14N3O6PS.2H3N/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20);2*1H3/t5-,6+,8+;;/m0../s1
InChIKey FZFCZFIHZXXBKM-CDNBRZBRSA-N
Literature Reference Author J.JANKOWSKA,A.SOBKOWSKA,J.CIESLAK,M.SOBKOWSKI,A.KRASZEWSKI,J .STAWINSKI,D.SHUGAR
Literature Reference Citation J.ORG.CHEM.,63,8150(1998)
Literature Reference DOI 10.1021/jo980491u
Solvent H2O:NAOD;PH=8
Source File Reference UWMZ26380