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2-(3-ETHYL-7-TERT.-BUTYL-1-PYRENYL)-CYCLOHEXANONE
SpectraBase Compound ID 3xZkYI2ZCQB
InChI InChI=1S/C28H30O/c1-5-17-16-24(22-8-6-7-9-25(22)29)23-13-11-19-15-20(28(2,3)4)14-18-10-12-21(17)27(23)26(18)19/h10-16,22H,5-9H2,1-4H3
InChIKey JKLVQAAQNNQUBQ-UHFFFAOYSA-N
Mol Weight 382.55 g/mol
Molecular Formula C28H30O
Exact Mass 382.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIq6i9LwOXf
Name 2-(3-ETHYL-7-TERT.-BUTYL-1-PYRENYL)-CYCLOHEXANONE
CAS Registry Number 138060-74-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O
InChI InChI=1S/C28H30O/c1-5-17-16-24(22-8-6-7-9-25(22)29)23-13-11-19-15-20(28(2,3)4)14-18-10-12-21(17)27(23)26(18)19/h10-16,22H,5-9H2,1-4H3
InChIKey JKLVQAAQNNQUBQ-UHFFFAOYSA-N
Literature Reference Author M.MINABE,M.ISHIDA,T.KIMURA,M.TSUBOTA,M.YOSHIDA
Literature Reference Citation J.ORG.CHEM.,57,1012(1992)
Literature Reference DOI 10.1021/jo00029a044
Molecular Weight 382.546 g/mol
Solvent CDCl3
Source File Reference UWCS982