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(E)-1-(5,5-Dimethyl-1-oxo-cyclohex-2-en-3-yl)-2-buten-1-one
SpectraBase Compound ID 41vDXFciUKl
InChI InChI=1S/C12H16O2/c1-4-5-11(14)9-6-10(13)8-12(2,3)7-9/h4-6H,7-8H2,1-3H3/b5-4+
InChIKey IAUXZZIAMIKILA-SNAWJCMRSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JiT1hnr1wT
Name (E)-1-(5,5-Dimethyl-1-oxo-cyclohex-2-en-3-yl)-2-buten-1-one
CAS Registry Number 91897-84-6
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-4-5-11(14)9-6-10(13)8-12(2,3)7-9/h4-6H,7-8H2,1-3H3/b5-4+
InChIKey IAUXZZIAMIKILA-SNAWJCMRSA-N
Instrument Name Jeol FX-100
Literature Reference W.F. Goure, M.G. Wright, P.D.Davies, J. Am. Chem. Soc. 106, 6417 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3