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ADENOSINE-5'-[4-[(E)-NITROETHENYL]-BENZYL-PENTANEDIOATE]
SpectraBase Compound ID 1ybKRmQg9uH
InChI InChI=1S/C24H26N6O9/c25-22-19-23(27-12-26-22)29(13-28-19)24-21(34)20(33)16(39-24)11-38-18(32)3-1-2-17(31)37-10-15-6-4-14(5-7-15)8-9-30(35)36/h4-9,12-13,16,20-21,24,33-34H,1-3,10-11H2,(H2,25,26,27)/b9-8+/t16-,20-,21-,24-/m0/s1
InChIKey UACMIFJYCNADTN-WJUBPYNOSA-N
Mol Weight 542.51 g/mol
Molecular Formula C24H26N6O9
Exact Mass 542.176126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OLqJm5Vu7z
Name ADENOSINE-5'-[4-[(E)-NITROETHENYL]-BENZYL-PENTANEDIOATE]
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26N6O9
InChI InChI=1S/C24H26N6O9/c25-22-19-23(27-12-26-22)29(13-28-19)24-21(34)20(33)16(39-24)11-38-18(32)3-1-2-17(31)37-10-15-6-4-14(5-7-15)8-9-30(35)36/h4-9,12-13,16,20-21,24,33-34H,1-3,10-11H2,(H2,25,26,27)/b9-8+/t16-,20-,21-,24-/m0/s1
InChIKey UACMIFJYCNADTN-WJUBPYNOSA-N
Literature Reference Author S.PETERLI,D.HUBMANN,U.SEQUIN,H.METT,P.TRAXLER
Literature Reference Citation HELV.CHIM.ACTA,77,59(1994)
Literature Reference DOI 10.1002/hlca.19940770109
Molecular Weight 542.505 g/mol
Solvent ACETONE-D6
Source File Reference UWVP4215