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6-[(2E,4E)-6-keto-6-methoxy-hexa-2,4-dienoyl]-3,4-dimethyl-cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 6Ta2D3whnXS
InChI InChI=1S/C21H28O7/c1-6-27-19(24)21(20(25)28-7-2)13-15(4)14(3)12-16(21)17(22)10-8-9-11-18(23)26-5/h8-11,16H,6-7,12-13H2,1-5H3/b10-8+,11-9+
InChIKey PVYPJTTVXYJHDU-GFULKKFKSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXzylGojQly
Name 6-[(2E,4E)-6-keto-6-methoxy-hexa-2,4-dienoyl]-3,4-dimethyl-cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester
Compound Number 24A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-6-27-19(24)21(20(25)28-7-2)13-15(4)14(3)12-16(21)17(22)10-8-9-11-18(23)26-5/h8-11,16H,6-7,12-13H2,1-5H3/b10-8+,11-9+
InChIKey PVYPJTTVXYJHDU-GFULKKFKSA-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 392.449 g/mol
Solvent CDCl3
Source File Reference UWKP373