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4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one

View entire compound with spectra: 17 NMR, 1 UV-Vis, and 3 MS (GC)

4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID KiTUnqJkM0j
InChI InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3
InChIKey MJRRCEHODULPAV-UHFFFAOYSA-N
Mol Weight 191.06 g/mol
Molecular Formula C8H8Cl2O
Exact Mass 189.99522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYbeVyCa5iS
Name 4-(DICHLOROMETHYL)-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8Cl2O
InChI InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3
InChIKey MJRRCEHODULPAV-UHFFFAOYSA-N
Molecular Weight 191.06
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2,5-CYCLOHEXADIEN-1-ONE, 4-/DICHLOROMETHYL/-4-METHYL-,