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4-[(5-C13)-2,6,6-TRIMETHYL-1-CYCLOHEXENYL]-3-BUTEN-2-ONE;(5-C13)-BETA-IONONE
SpectraBase Compound ID 5C3gDJxaKT8
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+/i9+1
InChIKey PSQYTAPXSHCGMF-AXLUHXJYSA-N
Mol Weight 193.29 g/mol
Molecular Formula C1213CH20O
Exact Mass 193.15477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dPVGNDxBa5
Name 4-[(5-C13)-2,6,6-TRIMETHYL-1-CYCLOHEXENYL]-3-BUTEN-2-ONE;(5-C13)-BETA-IONONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1213CH20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+/i9+1
InChIKey PSQYTAPXSHCGMF-AXLUHXJYSA-N
Literature Reference Author R.GEBHARD,J.M.L.COURTIN,J.B.SHADID,J.VANHAVEREN,C.J.VANHAERI NGEN,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,108,207(1989)
Literature Reference DOI 10.1002/recl.19891080602
Molecular Weight 193.294 g/mol
Solvent CDCl3
Source File Reference UWED4308