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3-FORMYL-2,2,4-TRIMETHYL-3,5-CYCLOHEXADIENYL-ANGELATE
SpectraBase Compound ID 57h841IB9V6
InChI InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-8-7-11(3)12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1
InChIKey VVTUCTDLMMABKL-HKBVPSITSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KUeh2NfXI1
Name 3-FORMYL-2,2,4-TRIMETHYL-3,5-CYCLOHEXADIENYL-ANGELATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-8-7-11(3)12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1
InChIKey VVTUCTDLMMABKL-HKBVPSITSA-N
Literature Reference Author A.F.BARRERO,A.HAIDOUR,F.REYES,A.SEDQUI,A.I.MANSOUR
Literature Reference Citation J.NAT.PROD.,61,506(1998)
Literature Reference DOI 10.1021/np960732y
Molecular Weight 248.322 g/mol
Solvent CDCl3
Source File Reference UWCP6689