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3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(e)
SpectraBase Compound ID HpdpXipoMad
InChI InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKey YODDEHYDMMDDCV-NXAIOARDSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QjT6z0qV3S
Name 3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(E)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKey YODDEHYDMMDDCV-NXAIOARDSA-N
Molecular Weight 210.273 g/mol
SMILES C(C)(=O)OC\C=C\(CC\C=C\(C=O)C)C