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2-(2-Cyano-ethyl)-8-pentyl-oxocane

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2-(2-Cyano-ethyl)-8-pentyl-oxocane
SpectraBase Compound ID CjaRvRnItJV
InChI InChI=1S/C14H25NO/c1-2-3-5-8-13-9-6-4-7-10-14(16-13)11-12-15/h13-14H,2-11H2,1H3
InChIKey JSPPHPAWHJRYIH-UHFFFAOYSA-N
Mol Weight 223.36 g/mol
Molecular Formula C14H25NO
Exact Mass 223.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96FfI6hAX3f
Name 2-(2-Cyano-ethyl)-8-pentyl-oxocane
CAS Registry Number 115482-27-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H25NO
InChI InChI=1S/C14H25NO/c1-2-3-5-8-13-9-6-4-7-10-14(16-13)11-12-15/h13-14H,2-11H2,1H3
InChIKey JSPPHPAWHJRYIH-UHFFFAOYSA-N
Instrument Name SF = 250 MHz
Literature Reference S.L. Schreiber, S.E. Kelly, J.A.Porco, J. Am. Chem. Soc. 110, 6210 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3