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3-[5-(4-CHLOROBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-BUTYL-(METHYL)-AMMONIUM

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3-[5-(4-CHLOROBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-BUTYL-(METHYL)-AMMONIUM
SpectraBase Compound ID Jrq8htL0dnB
InChI InChI=1S/C21H24ClNO5/c1-23-11-5-4-6-15-16(20(25)27-2)12-17(21(26)28-3)18(15)19(24)13-7-9-14(22)10-8-13/h7-10,12,15,23H,4-6,11H2,1-3H3/p+1
InChIKey OTTQGDCWVWZOMP-UHFFFAOYSA-O
Mol Weight 406.89 g/mol
Molecular Formula C21H25ClNO5
Exact Mass 406.142126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QXGU9jS5Ig
Name 3-[5-(4-CHLOROBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-BUTYL-(METHYL)-AMMONIUM
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClNO5
InChI InChI=1S/C21H24ClNO5/c1-23-11-5-4-6-15-16(20(25)27-2)12-17(21(26)28-3)18(15)19(24)13-7-9-14(22)10-8-13/h7-10,12,15,23H,4-6,11H2,1-3H3/p+1
InChIKey OTTQGDCWVWZOMP-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 406.886 g/mol
Solvent CDCl3:DMSO=9:1
Source File Reference UWSI26410