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1,1-diethyl 7-methyl (4E,6E)-3-keto-2-[(4-methylphenyl)thio]hepta-4,6-diene-1,1,7-tricarboxylate
SpectraBase Compound ID KRG59hHbPq3
InChI InChI=1S/C22H26O7S/c1-5-28-21(25)19(22(26)29-6-2)20(30-16-13-11-15(3)12-14-16)17(23)9-7-8-10-18(24)27-4/h7-14,19-20H,5-6H2,1-4H3/b9-7+,10-8+
InChIKey RGSXUTDLKZRQAA-FIFLTTCUSA-N
Mol Weight 434.5 g/mol
Molecular Formula C22H26O7S
Exact Mass 434.139924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsXW8ZRgmh1
Name 1,1-diethyl 7-methyl (4E,6E)-3-keto-2-[(4-methylphenyl)thio]hepta-4,6-diene-1,1,7-tricarboxylate
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7S
InChI InChI=1S/C22H26O7S/c1-5-28-21(25)19(22(26)29-6-2)20(30-16-13-11-15(3)12-14-16)17(23)9-7-8-10-18(24)27-4/h7-14,19-20H,5-6H2,1-4H3/b9-7+,10-8+
InChIKey RGSXUTDLKZRQAA-FIFLTTCUSA-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 434.504 g/mol
Solvent Unknown
Source File Reference UWKP377