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3,5-DIMETHYL-4-BENZHYDRILIDENE-2,5-CYCLOHEXADIEN-1-ONE
SpectraBase Compound ID A0fmMSLjmTe
InChI InChI=1S/C21H18O/c1-15-13-19(22)14-16(2)20(15)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKey MGSMTLOUCMHLBU-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C21H18O
Exact Mass 286.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPBXgN1yAgm
Name 3,5-DIMETHYL-4-BENZHYDRILIDENE-2,5-CYCLOHEXADIEN-1-ONE
Comments XYg~H
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18O
InChI InChI=1S/C21H18O/c1-15-13-19(22)14-16(2)20(15)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKey MGSMTLOUCMHLBU-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