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ADENOSINE-5'-(4-[(E)-2-NITROETHENYL]-PHENYL-GLUTARATE)

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ADENOSINE-5'-(4-[(E)-2-NITROETHENYL]-PHENYL-GLUTARATE)
SpectraBase Compound ID DVSRwBgCjkR
InChI InChI=1S/C23H24N6O9/c24-21-18-22(26-11-25-21)28(12-27-18)23-20(33)19(32)15(38-23)10-36-16(30)2-1-3-17(31)37-14-6-4-13(5-7-14)8-9-29(34)35/h4-9,11-12,15,19-20,23,32-33H,1-3,10H2,(H2,24,25,26)/b9-8+/t15?,19-,20-,23-/m0/s1
InChIKey PSUWLPYSURLNMH-ATAXTVMCSA-N
Mol Weight 528.48 g/mol
Molecular Formula C23H24N6O9
Exact Mass 528.160476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dq3uo4acKkk
Name ADENOSINE-5'-(4-[(E)-2-NITROETHENYL]-PHENYL-GLUTARATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N6O9
InChI InChI=1S/C23H24N6O9/c24-21-18-22(26-11-25-21)28(12-27-18)23-20(33)19(32)15(38-23)10-36-16(30)2-1-3-17(31)37-14-6-4-13(5-7-14)8-9-29(34)35/h4-9,11-12,15,19-20,23,32-33H,1-3,10H2,(H2,24,25,26)/b9-8+/t15?,19-,20-,23-/m0/s1
InChIKey PSUWLPYSURLNMH-ATAXTVMCSA-N
Literature Reference Author S.PETERLI,R.STUMPF,M.SCHWEIZER,U.SEQUIN,H.METT,P.TRAXLER
Literature Reference Citation HELV.CHIM.ACTA,75,696(1992)
Literature Reference DOI 10.1002/hlca.19920750304
Molecular Weight 528.478 g/mol
Solvent ACETONE-D6
Source File Reference UWCS7609