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(3RS, 5Sr)-5-methyl-3-propyl-cycloheptanone
SpectraBase Compound ID Al9evDX9lIN
InChI InChI=1S/C11H20O/c1-3-4-10-7-5-9(2)6-8-11(10)12/h9-10H,3-8H2,1-2H3
InChIKey CSMJKTSYJBRPMU-UHFFFAOYSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9NaSrk4NUB
Name (3RS, 5Sr)-5-methyl-3-propyl-cycloheptanone
CAS Registry Number 84877-84-9
Comments UCB-250 SPECTROMETER, REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-3-4-10-7-5-9(2)6-8-11(10)12/h9-10H,3-8H2,1-2H3
InChIKey CSMJKTSYJBRPMU-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