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2',3'-O-ISOPROPYLIDENEADENOSINE-5'-[3-[4-[(E)-2-NITROETHENYL]-PHENYLOXY]-PROPYL-PENTANEDIOATE]
SpectraBase Compound ID Cbk4hJ9QfKh
InChI InChI=1S/C29H34N6O10/c1-29(2)44-24-20(43-28(25(24)45-29)34-17-33-23-26(30)31-16-32-27(23)34)15-42-22(37)6-3-5-21(36)41-14-4-13-40-19-9-7-18(8-10-19)11-12-35(38)39/h7-12,16-17,20,24-25,28H,3-6,13-15H2,1-2H3,(H2,30,31,32)/b12-11+/t20-,24-,25-,28-/m0/s1
InChIKey BCPVHPKIESJACI-RHBFHXOLSA-N
Mol Weight 626.6 g/mol
Molecular Formula C29H34N6O10
Exact Mass 626.233641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtHcs1wuTtb
Name 2',3'-O-ISOPROPYLIDENEADENOSINE-5'-[3-[4-[(E)-2-NITROETHENYL]-PHENYLOXY]-PROPYL-PENTANEDIOATE]
Compound Number 2 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34N6O10
InChI InChI=1S/C29H34N6O10/c1-29(2)44-24-20(43-28(25(24)45-29)34-17-33-23-26(30)31-16-32-27(23)34)15-42-22(37)6-3-5-21(36)41-14-4-13-40-19-9-7-18(8-10-19)11-12-35(38)39/h7-12,16-17,20,24-25,28H,3-6,13-15H2,1-2H3,(H2,30,31,32)/b12-11+/t20-,24-,25-,28-/m0/s1
InChIKey BCPVHPKIESJACI-RHBFHXOLSA-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 626.623 g/mol
Solvent CDCl3
Source File Reference UWVP4203