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Phenyl (5,5-Dimethyl-3-oxo-1-cyclohexen-1-ylacetate
SpectraBase Compound ID 4JklRoKUkuZ
InChI InChI=1S/C16H18O3/c1-16(2)10-12(8-13(17)11-16)9-15(18)19-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3
InChIKey LCKPIUHIVQCVIZ-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69Ay1LxzTWu
Name PHENYL-(5,5-DIMETHYL-3-OXO-1-CYCLOHEXEN-1-YL-ACETATE)
CAS Registry Number 126256-28-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-16(2)10-12(8-13(17)11-16)9-15(18)19-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3
InChIKey LCKPIUHIVQCVIZ-UHFFFAOYSA-N
Literature Reference Author H.MAYR,A.CAMBANIS,E.BAEUML
Literature Reference Citation CHEM.BER.,123,1571(1990)
Literature Reference DOI 10.1002/cber.19901230718
Molecular Weight 258.317 g/mol
Solvent CDCl3
Source File Reference UWED10212