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2,3,3-TRIMETHYL-6-OXOCYCLOHEXA-1,4-DIENE-CARBOXYLIC-ACID
SpectraBase Compound ID 56RPdvu8SxS
InChI InChI=1S/C12H16O4/c1-8-10(11(15)16-7-6-13)9(14)4-5-12(8,2)3/h4-5,13H,6-7H2,1-3H3
InChIKey ZVDMTZLQYQORPA-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9crdy0Bi96m
Name 2,3,3-TRIMETHYL-6-OXOCYCLOHEXA-1,4-DIENE-CARBOXYLIC-ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8-10(11(15)16-7-6-13)9(14)4-5-12(8,2)3/h4-5,13H,6-7H2,1-3H3
InChIKey ZVDMTZLQYQORPA-UHFFFAOYSA-N
Literature Reference Author K.ANHALT,I.SPRUNG,K.SCHULZE
Literature Reference Citation MH.CHEM.,134,1593(2003)
Literature Reference DOI 10.1007/s00706-003-0040-2
Molecular Weight 224.257 g/mol
Solvent CDCl3
Source File Reference UWKP5168