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3-[3-(METHOXYCARBONYL)-PROPYL]-CYCLOSAL-D4T-MONOPHOSPHATE

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3-[3-(METHOXYCARBONYL)-PROPYL]-CYCLOSAL-D4T-MONOPHOSPHATE
SpectraBase Compound ID 7PW9XPYRacW
InChI InChI=1S/2C22H25N2O9P/c2*1-14-11-24(22(27)23-21(14)26)18-10-9-17(32-18)13-31-34(28)30-12-16-7-3-5-15(20(16)33-34)6-4-8-19(25)29-2/h2*3,5,7,9-11,17-18H,4,6,8,12-13H2,1-2H3,(H,23,26,27)/t2*17-,18+,34?/m00/s1
InChIKey QKJKAVPGCQHZTJ-VTUGYROCSA-N
Mol Weight 984.84 g/mol
Molecular Formula C44H50N4O18P2
Exact Mass 984.259535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXo3udeXUz8
Name 3-[3-(METHOXYCARBONYL)-PROPYL]-CYCLOSAL-D4T-MONOPHOSPHATE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50N4O18P2
InChI InChI=1S/2C22H25N2O9P/c2*1-14-11-24(22(27)23-21(14)26)18-10-9-17(32-18)13-31-34(28)30-12-16-7-3-5-15(20(16)33-34)6-4-8-19(25)29-2/h2*3,5,7,9-11,17-18H,4,6,8,12-13H2,1-2H3,(H,23,26,27)/t2*17-,18+,34?/m00/s1
InChIKey QKJKAVPGCQHZTJ-VTUGYROCSA-N
Literature Reference Author C.MEIER,C.DUCHO,H.JESSEN,D.VUKADINOVIC-TENTER,J.BALZARINI
Literature Reference Citation EUR.J.ORG.CHEM.,197(2006)
Molecular Weight 984.845 g/mol
Sample ID 42807
Solvent DMSO-D6