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2',3'-O-ISOPROPYLIDENEADENOSINE-5'-(2-METHOXY-4-[(E)-2-NITROETHENYL]-PHENYL-GLUTARATE)
SpectraBase Compound ID 2GNHgoHcpp8
InChI InChI=1S/C27H30N6O10/c1-27(2)42-22-18(41-26(23(22)43-27)32-14-31-21-24(28)29-13-30-25(21)32)12-39-19(34)5-4-6-20(35)40-16-8-7-15(9-10-33(36)37)11-17(16)38-3/h7-11,13-14,18,22-23,26H,4-6,12H2,1-3H3,(H2,28,29,30)/b10-9+/t18?,22-,23-,26-/m0/s1
InChIKey MYHFPGLGQXKEMC-RRUAXRSBSA-N
Mol Weight 598.57 g/mol
Molecular Formula C27H30N6O10
Exact Mass 598.202341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXCIqtYZJxf
Name 2',3'-O-ISOPROPYLIDENEADENOSINE-5'-(2-METHOXY-4-[(E)-2-NITROETHENYL]-PHENYL-GLUTARATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N6O10
InChI InChI=1S/C27H30N6O10/c1-27(2)42-22-18(41-26(23(22)43-27)32-14-31-21-24(28)29-13-30-25(21)32)12-39-19(34)5-4-6-20(35)40-16-8-7-15(9-10-33(36)37)11-17(16)38-3/h7-11,13-14,18,22-23,26H,4-6,12H2,1-3H3,(H2,28,29,30)/b10-9+/t18?,22-,23-,26-/m0/s1
InChIKey MYHFPGLGQXKEMC-RRUAXRSBSA-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 598.569 g/mol
Solvent CDCl3
Source File Reference UWCS7615