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2-METHYL-2-[4-(3-OXOBUTYL)-CYCLOHEXA-2,5-DIENYL]-PROPIONIC-ACID-METHYL-ACID
SpectraBase Compound ID AxaaRTF1kwy
InChI InChI=1S/C15H22O3/c1-11(16)5-6-12-7-9-13(10-8-12)15(2,3)14(17)18-4/h7-10,12-13H,5-6H2,1-4H3/t12-,13+
InChIKey OMJYYCZTCNLOFM-BETUJISGSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvXhSNjsebh
Name 2-METHYL-2-[4-(3-OXOBUTYL)-CYCLOHEXA-2,5-DIENYL]-PROPIONIC-ACID-METHYL-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-11(16)5-6-12-7-9-13(10-8-12)15(2,3)14(17)18-4/h7-10,12-13H,5-6H2,1-4H3/t12-,13+
InChIKey OMJYYCZTCNLOFM-BETUJISGSA-N
Literature Reference Author F.DING,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,13752(2004)
Literature Reference DOI 10.1021/ja047108p
Molecular Weight 250.338 g/mol
Sample ID 36738
Solvent CDCl3