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(E)-3-Methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)pent-2-en-1-yl acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-3-Methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)pent-2-en-1-yl acetate
SpectraBase Compound ID 6qc0NZoWirq
InChI InChI=1S/C17H26O3/c1-12(8-9-20-14(3)18)6-7-16-13(2)10-15(19)11-17(16,4)5/h8,10,16H,6-7,9,11H2,1-5H3/b12-8+
InChIKey ZZLGBBVNDGZTNM-XYOKQWHBSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 628BHRmkNv3
Name (E)-3-Methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)pent-2-en-1-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.188194694 u
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-12(8-9-20-14(3)18)6-7-16-13(2)10-15(19)11-17(16,4)5/h8,10,16H,6-7,9,11H2,1-5H3/b12-8+
InChIKey ZZLGBBVNDGZTNM-XYOKQWHBSA-N
Molecular Weight 278.392 g/mol
SMILES C1(CC(C(C(=C1)C)CC\C(=C\COC(C)=O)C)(C)C)=O