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

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2'-DEOXYADENOSIN-5'-YL_H-PHOSPHONOTHIOATE_TRIETHYLAMMONIUM_SALT;DIASTEREOMER_1
SpectraBase Compound ID 4wJf25nOMBa
InChI InChI=1S/C10H14N5O4PS.C6H15N/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(19-7)2-18-20(17)21;1-4-7(5-2)6-3/h3-7,16,20H,1-2H2,(H,17,21)(H2,11,12,13);4-6H2,1-3H3/t5-,6+,7+;/m0./s1
InChIKey PKSIXKFFXLZRTE-VWZUFWLJSA-N
Mol Weight 432.48 g/mol
Molecular Formula C16H29N6O4PS
Exact Mass 432.170862 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iOqYuhwLIR
Name 2'-DEOXYADENOSIN-5'-YL_H-PHOSPHONOTHIOATE_TRIETHYLAMMONIUM_SALT;DIASTEREOMER_1
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H29N6O4PS
InChI InChI=1S/C10H14N5O4PS.C6H15N/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(19-7)2-18-20(17)21;1-4-7(5-2)6-3/h3-7,16,20H,1-2H2,(H,17,21)(H2,11,12,13);4-6H2,1-3H3/t5-,6+,7+;/m0./s1
InChIKey PKSIXKFFXLZRTE-VWZUFWLJSA-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 UWMZ26367