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THYMIDIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT

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THYMIDIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT
SpectraBase Compound ID 84HLcVN7d0Y
InChI InChI=1S/C10H15N2O6PS2.2C6H15N/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21;2*1-4-7(5-2)6-3/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21);2*4-6H2,1-3H3/t6-,7+,8+;;/m0../s1
InChIKey DZGPRFZXEVNECO-ZJWYQBPBSA-N
Mol Weight 556.72 g/mol
Molecular Formula C22H45N4O6PS2
Exact Mass 556.251815 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvS8pcRECEo
Name THYMIDIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H45N4O6PS2
InChI InChI=1S/C10H15N2O6PS2.2C6H15N/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21;2*1-4-7(5-2)6-3/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21);2*4-6H2,1-3H3/t6-,7+,8+;;/m0../s1
InChIKey DZGPRFZXEVNECO-ZJWYQBPBSA-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 UWMZ26388