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E-4-(2',3'-EPOXY-1'-HYDROPEROXY-2',6',6'-TRIMETHYLCYCLOHEXYL)-3-BUTEN-2-ONE
SpectraBase Compound ID GPco6nzGE0b
InChI InChI=1S/C13H20O4/c1-9(14)5-8-13(17-15)11(2,3)7-6-10-12(13,4)16-10/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey MFVAHKRACMLHLH-VMPITWQZSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TxN098Jtna
Name E-4-(2',3'-EPOXY-1'-HYDROPEROXY-2',6',6'-TRIMETHYLCYCLOHEXYL)-3-BUTEN-2-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-9(14)5-8-13(17-15)11(2,3)7-6-10-12(13,4)16-10/h5,8,10,15H,6-7H2,1-4H3/b8-5+
InChIKey MFVAHKRACMLHLH-VMPITWQZSA-N
Literature Reference Author M.P.MISCHNE,S.N.HUBER,J.ZINCZUK
Literature Reference Citation CAN.J.CHEM.,77,237(1999)
Literature Reference DOI 10.1139/cjc-77-2-237
Molecular Weight 240.299 g/mol
Solvent CDCl3
Source File Reference UWSI371