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1-(3,4-dimethoxyphenyl)-2,4-dioxocyclohexaneacetic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

1-(3,4-dimethoxyphenyl)-2,4-dioxocyclohexaneacetic acid
SpectraBase Compound ID LSuEW4OZgWw
InChI InChI=1S/2C16H18O6/c2*1-21-12-4-3-10(7-13(12)22-2)16(9-15(19)20)6-5-11(17)8-14(16)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20);3-4,7-8,17H,5-6,9H2,1-2H3,(H,19,20)
InChIKey KCSIBSSZWUMCAW-UHFFFAOYSA-N
Mol Weight 306.31 g/mol
Molecular Formula C16H18O6
Exact Mass 306.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ILZ2DBH4iAy
Name 1-(3,4-DIMETHOXYPHENYL)-2,4-DIOXOCYCLOHEXANEACETIC ACID
Source of Sample G. Metz, L. Merckle Kg, Blaubeuren, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O6
InChI InChI=1S/2C16H18O6/c2*1-21-12-4-3-10(7-13(12)22-2)16(9-15(19)20)6-5-11(17)8-14(16)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20);3-4,7-8,17H,5-6,9H2,1-2H3,(H,19,20)
InChIKey KCSIBSSZWUMCAW-UHFFFAOYSA-N
Melting Point 198-199C
Molecular Weight 306.32
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANEACETIC ACID, 1-/3,4-DIMETHOXYPHENYL/-2,4-DIOXO-,