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(+)-(2R,4'S)-2-(4-Methylhexyl)cyclohexanone
SpectraBase Compound ID EUk425Q4Tiz
InChI InChI=1S/C13H24O/c1-3-11(2)7-6-9-12-8-4-5-10-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKey JMTHARGEDXDLLI-VXGBXAGGSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m3T60bQdyE
Name (+)-(2R,4'S)-2-(4-METHYLHEXYL)-CYClOHEXANONE
Compound Number 2R,4'S-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-3-11(2)7-6-9-12-8-4-5-10-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKey JMTHARGEDXDLLI-VXGBXAGGSA-N
Literature Reference Author K.STRITZKE,S.SCHULZ,H.LAATSCH,E.HELMKE,W.BEIL
Literature Reference Citation J.NAT.PROD.,67,395(2004)
Literature Reference DOI 10.1021/np030321z
Molecular Weight 196.333 g/mol
Solvent CDCl3
Source File Reference UWKP4221