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BENZYL-N-[2-(DIETHYLPHOPPHONYL)-ETHYL]-N-(THYMIN-1-YL-ACETYL)-GLYCINATE
SpectraBase Compound ID KBF9VJvF3nH
InChI InChI=1S/2C22H30N3O8P/c2*1-4-32-34(30,33-5-2)12-11-24(15-20(27)31-16-18-9-7-6-8-10-18)19(26)14-25-13-17(3)21(28)23-22(25)29/h2*6-10,13H,4-5,11-12,14-16H2,1-3H3,(H,23,28,29)
InChIKey RWVKQZINGXSVIS-UHFFFAOYSA-N
Mol Weight 990.94 g/mol
Molecular Formula C44H60N6O16P2
Exact Mass 990.354104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzuK184RxNU
Name BENZYL-N-[2-(DIETHYLPHOPPHONYL)-ETHYL]-N-(THYMIN-1-YL-ACETYL)-GLYCINATE
Compound Number I-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60N6O16P2
InChI InChI=1S/2C22H30N3O8P/c2*1-4-32-34(30,33-5-2)12-11-24(15-20(27)31-16-18-9-7-6-8-10-18)19(26)14-25-13-17(3)21(28)23-22(25)29/h2*6-10,13H,4-5,11-12,14-16H2,1-3H3,(H,23,28,29)
InChIKey RWVKQZINGXSVIS-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 990.939 g/mol
Solvent DMSO-D6
Source File Reference UWLU21724