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2-[5-(2,5-Dimethoxy-phenyl)-3-methyl-pent-3-enyl]-3-methyl-cyclohex-2-enone
SpectraBase Compound ID 3uuc6SFyDCq
InChI InChI=1S/C21H28O3/c1-15(9-12-19-16(2)6-5-7-20(19)22)8-10-17-14-18(23-3)11-13-21(17)24-4/h8,11,13-14H,5-7,9-10,12H2,1-4H3/b15-8+
InChIKey FXIRZSMHAQTIKC-OVCLIPMQSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6PG9RW8qU3
Name 2-[5-(2,5-Dimethoxy-phenyl)-3-methyl-pent-3-enyl]-3-methyl-cyclohex-2-enone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-15(9-12-19-16(2)6-5-7-20(19)22)8-10-17-14-18(23-3)11-13-21(17)24-4/h8,11,13-14H,5-7,9-10,12H2,1-4H3/b15-8+
InChIKey FXIRZSMHAQTIKC-OVCLIPMQSA-N
Molecular Weight 328.452 g/mol
SMILES COC1=CC=C(C(=C1)C\C=C\(CCC1=C(CCCC1=O)C)C)OC