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(E)-5,5-Dimethyl-2-(1-ethylthio-ethylidene)-cyclopentanone
SpectraBase Compound ID AoIk8deZnEd
InChI InChI=1S/C11H18OS/c1-5-13-8(2)9-6-7-11(3,4)10(9)12/h5-7H2,1-4H3/b9-8+
InChIKey KDOJSLPMNFQVHZ-CMDGGOBGSA-N
Mol Weight 198.32 g/mol
Molecular Formula C11H18OS
Exact Mass 198.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRBCvHRD9iW
Name (E)-5,5-Dimethyl-2-(1-ethylthio-ethylidene)-cyclopentanone
CAS Registry Number 96899-49-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18OS
InChI InChI=1S/C11H18OS/c1-5-13-8(2)9-6-7-11(3,4)10(9)12/h5-7H2,1-4H3/b9-8+
InChIKey KDOJSLPMNFQVHZ-CMDGGOBGSA-N
Instrument Name Jeol FX-90
Literature Reference R.K. Dieter, L.A. Silks, J.R. Fishpaugh, J. Am. Chem. Soc. 107, 4679 (1985).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3