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2-Benzyl-2,5,5-trimethyl-cyclohexa-1,3-dione

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2-Benzyl-2,5,5-trimethyl-cyclohexa-1,3-dione
SpectraBase Compound ID 9peSHu7LWty
InChI InChI=1S/C16H20O2/c1-15(2)10-13(17)16(3,14(18)11-15)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey BDFYVZVUGVHYPA-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3HlkQ98OTbQ
Name 2-Benzyl-2,5,5-trimethyl-cyclohexa-1,3-dione
CAS Registry Number 69703-40-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-15(2)10-13(17)16(3,14(18)11-15)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey BDFYVZVUGVHYPA-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