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DIETHYL-[2-N-(2-N-BENZYLOCARBONYLAMINOETHYL)-2-N-(THYMIN-1-YL-ACETYL)-AMINOETHYL]-PHOSPHONATE

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DIETHYL-[2-N-(2-N-BENZYLOCARBONYLAMINOETHYL)-2-N-(THYMIN-1-YL-ACETYL)-AMINOETHYL]-PHOSPHONATE
SpectraBase Compound ID DtRNVvF5SSS
InChI InChI=1S/2C23H33N4O8P/c2*1-4-34-36(32,35-5-2)14-13-26(20(28)16-27-15-18(3)21(29)25-22(27)30)12-11-24-23(31)33-17-19-9-7-6-8-10-19/h2*6-10,15H,4-5,11-14,16-17H2,1-3H3,(H,24,31)(H,25,29,30)
InChIKey QGAVKKSNWPXMBW-UHFFFAOYSA-N
Mol Weight 1049.0 g/mol
Molecular Formula C46H66N8O16P2
Exact Mass 1048.407202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmTUvmpAlNJ
Name DIETHYL-[2-N-(2-N-BENZYLOCARBONYLAMINOETHYL)-2-N-(THYMIN-1-YL-ACETYL)-AMINOETHYL]-PHOSPHONATE
Compound Number II -4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H66N8O16P2
InChI InChI=1S/2C23H33N4O8P/c2*1-4-34-36(32,35-5-2)14-13-26(20(28)16-27-15-18(3)21(29)25-22(27)30)12-11-24-23(31)33-17-19-9-7-6-8-10-19/h2*6-10,15H,4-5,11-14,16-17H2,1-3H3,(H,24,31)(H,25,29,30)
InChIKey QGAVKKSNWPXMBW-UHFFFAOYSA-N
Literature Reference Author P.YU,W.WANG,H.ZHANG,X.YANG,T.C.LIANG,X.GAO
Literature Reference Citation BIOORG.MED.CHEM.,9,107(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00230-3
Molecular Weight 1049.022 g/mol
Solvent DMSO-D6
Source File Reference UWLU21725