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3-[5-(4-CHLOROBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-PROPYL-(METHYL)-AMMONIUM
SpectraBase Compound ID BPiMCy3Mti5
InChI InChI=1S/C20H22ClNO5/c1-22-10-4-5-14-15(19(24)26-2)11-16(20(25)27-3)17(14)18(23)12-6-8-13(21)9-7-12/h6-9,11,14,22H,4-5,10H2,1-3H3/p+1
InChIKey KFVIMFJYNACJGL-UHFFFAOYSA-O
Mol Weight 392.86 g/mol
Molecular Formula C20H23ClNO5
Exact Mass 392.126476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuQxd6AY0BI
Name 3-[5-(4-CHLOROBENZOYL)-2,4-DI-(METHOXYCARBONYL)-CYCLOPENTADIENIDE]-PROPYL-(METHYL)-AMMONIUM
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23ClNO5
InChI InChI=1S/C20H22ClNO5/c1-22-10-4-5-14-15(19(24)26-2)11-16(20(25)27-3)17(14)18(23)12-6-8-13(21)9-7-12/h6-9,11,14,22H,4-5,10H2,1-3H3/p+1
InChIKey KFVIMFJYNACJGL-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 392.859 g/mol
Solvent CDCl3
Source File Reference UWSI26404