John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=G0qiEaxaSuZ SpectraBase Spectrum ID=1KKqqHHRlrz

(accessed ).
(2E,4E)-8-cyclopentyl-6,9-diketo-9-phenyl-nona-2,4-dienoic acid methyl ester
SpectraBase Compound ID G0qiEaxaSuZ
InChI InChI=1S/C21H24O4/c1-25-20(23)14-8-7-13-18(22)15-19(16-9-5-6-10-16)21(24)17-11-3-2-4-12-17/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3/b13-7+,14-8+
InChIKey TWPLMQURUAOXKQ-FNCQTZNRSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KKqqHHRlrz
Name (2E,4E)-8-cyclopentyl-6,9-diketo-9-phenyl-nona-2,4-dienoic acid methyl ester
Compound Number 31
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-25-20(23)14-8-7-13-18(22)15-19(16-9-5-6-10-16)21(24)17-11-3-2-4-12-17/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3/b13-7+,14-8+
InChIKey TWPLMQURUAOXKQ-FNCQTZNRSA-N
Literature Reference Author N.J.MARCHAND,D.M.GREE,J.T.MARTELLI,R.L.GREE,L.J.TOUPET
Literature Reference Citation J.ORG.CHEM.,61,5063(1996)
Literature Reference DOI 10.1021/jo9603643
Molecular Weight 340.419 g/mol
Solvent CDCl3
Source File Reference UWKP382
SpectraBase Batch ID GWjxYx2gd6A