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2-Allyl-2,5,5-trimethyl-cyclohexa-1,3-dione
SpectraBase Compound ID 4lFN1dXfHiL
InChI InChI=1S/C12H18O2/c1-5-6-12(4)9(13)7-11(2,3)8-10(12)14/h5H,1,6-8H2,2-4H3
InChIKey BPFUUTGEGUVEPI-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yFkmGoL0bb
Name 2-Allyl-2,5,5-trimethyl-cyclohexa-1,3-dione
CAS Registry Number 69703-38-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-5-6-12(4)9(13)7-11(2,3)8-10(12)14/h5H,1,6-8H2,2-4H3
InChIKey BPFUUTGEGUVEPI-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.R. Mahajan, J. Chem. Soc. Perkin I 1434 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3