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acetic acid [4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester
SpectraBase Compound ID 9umDz4lbTqG
InChI InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(4,5)14(10)7-6-11(2)16/h6-7,13H,8-9H2,1-5H3/b7-6+
InChIKey YABVVCNXDNIHRP-VOTSOKGWSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbHJrEPRtQu
Name acetic acid [4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enyl] ester
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(4,5)14(10)7-6-11(2)16/h6-7,13H,8-9H2,1-5H3/b7-6+
InChIKey YABVVCNXDNIHRP-VOTSOKGWSA-N
Literature Reference Author G.ENGLERT
Literature Reference Citation HELV.CHIM.ACTA,58,2367(1975)
Literature Reference DOI 10.1002/hlca.19750580817
Molecular Weight 250.338 g/mol
Solvent CDCl3
Source File Reference UWCS9471