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(3E)-2-ETHYL-4-HYDROXYMETHYL-1-METHYL-3-[(2E)-2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-BUT-2-ENYLIDENE]-CYCLOBUT-1-ENE

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(3E)-2-ETHYL-4-HYDROXYMETHYL-1-METHYL-3-[(2E)-2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-BUT-2-ENYLIDENE]-CYCLOBUT-1-ENE
SpectraBase Compound ID Inad0uDwjqG
InChI InChI=1S/C22H34O/c1-7-18-17(4)20(14-23)19(18)13-15(2)10-11-21-16(3)9-8-12-22(21,5)6/h10,13,20,23H,7-9,11-12,14H2,1-6H3/b15-10+,19-13-/t20-/m1/s1
InChIKey AXGQYNOABLHYCN-CWKWOGOZSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RmA35BxPpn
Name (3E)-2-ETHYL-4-HYDROXYMETHYL-1-METHYL-3-[(2E)-2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-BUT-2-ENYLIDENE]-CYCLOBUT-1-ENE
Compound Number E-31C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-7-18-17(4)20(14-23)19(18)13-15(2)10-11-21-16(3)9-8-12-22(21,5)6/h10,13,20,23H,7-9,11-12,14H2,1-6H3/b15-10+,19-13-/t20-/m1/s1
InChIKey AXGQYNOABLHYCN-CWKWOGOZSA-N
Literature Reference Author S.LOPEZ,J.RODRIGUEZ,J.G.REY,A.R.D.LERA
Literature Reference Citation J.AM.CHEM.SOC.,118,1881(1996)
Literature Reference DOI 10.1021/ja9522241
Molecular Weight 314.511 g/mol
Sample ID 36247
Solvent CDCl3