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ETHYL-(E)-5,5-DIMETHYL-6-OXO-HEPT-2-ENOATE
SpectraBase Compound ID 8ikBhgvuPbR
InChI InChI=1S/C11H18O3/c1-5-14-10(13)7-6-8-11(3,4)9(2)12/h6-7H,5,8H2,1-4H3/b7-6+
InChIKey CIVYOCGFDQMMSG-VOTSOKGWSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZHjCLPIRbB
Name ETHYL-(E)-5,5-DIMETHYL-6-OXO-HEPT-2-ENOATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-14-10(13)7-6-8-11(3,4)9(2)12/h6-7H,5,8H2,1-4H3/b7-6+
InChIKey CIVYOCGFDQMMSG-VOTSOKGWSA-N
Literature Reference Author T.K.HUTTON,K.MUIR,D.J.PROCTER
Literature Reference Citation ORG.LETTERS,4,2345(2002)
Literature Reference DOI 10.1021/ol0260472
Molecular Weight 198.262 g/mol
Solvent CDCl3
Source File Reference UWMZ25306