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2'-DEOXYCYTIDIN-5'-YL_H-PHOSPHONOTHIOATE_TRIETHYLAMMONIUM_SALT;DIASTEREOMER_1

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2'-DEOXYCYTIDIN-5'-YL_H-PHOSPHONOTHIOATE_TRIETHYLAMMONIUM_SALT;DIASTEREOMER_1
SpectraBase Compound ID DYzwck2pCq7
InChI InChI=1S/C9H14N3O5PS.C6H15N/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15)19;1-4-7(5-2)6-3/h1-2,5-6,8,13,18H,3-4H2,(H,15,19)(H2,10,11,14);4-6H2,1-3H3/t5-,6+,8+;/m0./s1
InChIKey ZBJMVGOKNAENPX-OERIEOFYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C15H29N4O5PS
Exact Mass 408.159628 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bh10ujbCPLA
Name 2'-DEOXYCYTIDIN-5'-YL_H-PHOSPHONOTHIOATE_TRIETHYLAMMONIUM_SALT;DIASTEREOMER_1
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H29N4O5PS
InChI InChI=1S/C9H14N3O5PS.C6H15N/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15)19;1-4-7(5-2)6-3/h1-2,5-6,8,13,18H,3-4H2,(H,15,19)(H2,10,11,14);4-6H2,1-3H3/t5-,6+,8+;/m0./s1
InChIKey ZBJMVGOKNAENPX-OERIEOFYSA-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 UWMZ26369