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3-[5-(4-METHOXYBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-PROPYL-(METHYL)-AMMONIUM
SpectraBase Compound ID IiJxs4GRawu
InChI InChI=1S/C21H25NO6/c1-22-11-5-6-15-16(20(24)27-3)12-17(21(25)28-4)18(15)19(23)13-7-9-14(26-2)10-8-13/h7-10,12,15,22H,5-6,11H2,1-4H3/p+1
InChIKey CCHBFHBHDHIALF-UHFFFAOYSA-O
Mol Weight 388.44 g/mol
Molecular Formula C21H26NO6
Exact Mass 388.176013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfSBqzIKyHe
Name 3-[5-(4-METHOXYBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-PROPYL-(METHYL)-AMMONIUM
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26NO6
InChI InChI=1S/C21H25NO6/c1-22-11-5-6-15-16(20(24)27-3)12-17(21(25)28-4)18(15)19(23)13-7-9-14(26-2)10-8-13/h7-10,12,15,22H,5-6,11H2,1-4H3/p+1
InChIKey CCHBFHBHDHIALF-UHFFFAOYSA-O
Literature Reference Author G.MAAS,A.MUELLER
Literature Reference Citation ORG.LETTERS,1,219(1999)
Literature Reference DOI 10.1021/ol990546u
Molecular Weight 388.441 g/mol
Solvent CDCl3
Source File Reference UWSI26403