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2-(4-(2-ACETOXY)-ISOPROPYL-3,5-DIOXO-PHENYL)-2,6,6-TRIMETHYL-CYCLOHEXYL-ETHANOIC-ACID
SpectraBase Compound ID JOTf1oTr4Yg
InChI InChI=1S/C22H30O6/c1-13(12-28-14(2)23)15-9-18(25)16(10-17(15)24)22(5)8-6-7-21(3,4)19(22)11-20(26)27/h9-10,13,19H,6-8,11-12H2,1-5H3,(H,26,27)/t13?,19?,22-/m0/s1
InChIKey IRNINSHGWPHJQH-ZGAHNTPASA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I369OXF175w
Name 2-(4-(2-ACETOXY)-ISOPROPYL-3,5-DIOXO-PHENYL)-2,6,6-TRIMETHYL-CYCLOHEXYL-ETHANOIC-ACID
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-13(12-28-14(2)23)15-9-18(25)16(10-17(15)24)22(5)8-6-7-21(3,4)19(22)11-20(26)27/h9-10,13,19H,6-8,11-12H2,1-5H3,(H,26,27)/t13?,19?,22-/m0/s1
InChIKey IRNINSHGWPHJQH-ZGAHNTPASA-N
Literature Reference Author R.H.BURNELL,M.JEAN,D.POIRIER,S.SAVARD
Literature Reference Citation CAN.J.CHEM.,62,2822(1984)
Literature Reference DOI 10.1139/v84-478
Molecular Weight 390.477 g/mol
Solvent CDCl3
Source File Reference UWED2316