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3-METHYL-4-BENZHYDRILIDENE-2,5-CYCLOHEXADIEN-1-ONE
SpectraBase Compound ID DofSPcegLqU
InChI InChI=1S/C20H16O/c1-15-14-18(21)12-13-19(15)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKey DHIKVDYZIQJDDH-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C20H16O
Exact Mass 272.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SEMWe1KDAz
Name 3-METHYL-4-BENZHYDRILIDENE-2,5-CYCLOHEXADIEN-1-ONE
Comments eg
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16O
InChI InChI=1S/C20H16O/c1-15-14-18(21)12-13-19(15)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKey DHIKVDYZIQJDDH-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference B.KOUTEK, L.MUSIL, J.VELEK, A.LYCKA, D.SNOBL, M.SYNACKOVA, M.SOUCEK (1981)Coll.Czech.Chem.Comm.: v.46, N10, 2540-2556.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d