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(4E)-9-OXO-2,2,7,12,12-PENTA-(METHOXYCARBONYL)-[13]-(2,6)-PYRIDINOPHAN-4-ENE
SpectraBase Compound ID FvOoiM1FMqe
InChI InChI=1S/C28H35NO11/c1-36-22(31)18-9-6-7-13-27(23(32)37-2,24(33)38-3)16-19-10-8-11-20(29-19)17-28(25(34)39-4,26(35)40-5)14-12-21(30)15-18/h6-8,10-11,18H,9,12-17H2,1-5H3/b7-6-
InChIKey SFYPRVCKHQALEI-SREVYHEPSA-N
Mol Weight 561.6 g/mol
Molecular Formula C28H35NO11
Exact Mass 561.221011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqkBv7Bq7wD
Name (4E)-9-OXO-2,2,7,12,12-PENTA-(METHOXYCARBONYL)-[13]-(2,6)-PYRIDINOPHAN-4-ENE
Compound Number 40
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35NO11
InChI InChI=1S/C28H35NO11/c1-36-22(31)18-9-6-7-13-27(23(32)37-2,24(33)38-3)16-19-10-8-11-20(29-19)17-28(25(34)39-4,26(35)40-5)14-12-21(30)15-18/h6-8,10-11,18H,9,12-17H2,1-5H3/b7-6-
InChIKey SFYPRVCKHQALEI-SREVYHEPSA-N
Literature Reference Author A.ULLMANN,M.GRUNER,H.U.REISSIG
Literature Reference Citation CHEM.EUR.J.,5,187(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<187::aid-chem187>3.3.co;2-4
Molecular Weight 561.586 g/mol
Solvent CDCl3
Source File Reference UWRU9587