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4-Methyl-3-(2-propenyl)-cycloheptanone
SpectraBase Compound ID KPQ2e5iTHQI
InChI InChI=1S/C11H18O/c1-3-5-10-8-11(12)7-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3
InChIKey QOUOLIIPZIUMEY-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rMNicdBWSb
Name 4-Methyl-3-(2-propenyl)-cycloheptanone
CAS Registry Number 84877-79-2
Comments UCB-250 SPECTROMETER MAJOR ISOMER CIS OR TRANS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-3-5-10-8-11(12)7-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3
InChIKey QOUOLIIPZIUMEY-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference T.A. Blumenkopf, C.H. Heathcock, J. Am. Chem. Soc. 105, 2354 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3