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6-SEC.-BUTYNYL-3,6-DIMETHYLCYCLOHEXA-2,4-DIENONE,ERYTHRO

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6-SEC.-BUTYNYL-3,6-DIMETHYLCYCLOHEXA-2,4-DIENONE,ERYTHRO
SpectraBase Compound ID LHd7EMPlILq
InChI InChI=1S/C12H14O/c1-5-10(3)12(4)7-6-9(2)8-11(12)13/h1,6-8,10H,2-4H3
InChIKey OUPCMKPMOBSETN-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UM4aA8Vqdk
Name threo-3,6-DIMETHYL-6-(1-METHYL-2-PROPYNYL)-2,4-CYCLOHEXADIEN-1-ONE
Source of Sample R. Hollenstein, W. Von Philipsborn Helv. Chim. Acta 55, 2030(1972)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-5-10(3)12(4)7-6-9(2)8-11(12)13/h1,6-8,10H,2-4H3
InChIKey OUPCMKPMOBSETN-UHFFFAOYSA-N
Molecular Weight 174.25
Solvent Chloroform-d; Reference=TMS; Temperature=305 K Spectrometer= Varian XL-100
Synonyms 2,4-CYCLOHEXADIEN-1-ONE, 3,6-DIMETHYL- 6-/1-METHYL-2-PROPYNYL/-, threo-,