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1,3-Cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-methoxyphenyl)methyl]-5,5-dimethyl-
SpectraBase Compound ID Bw6FUCypLJ8
InChI InChI=1S/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-21,27H,10-13H2,1-5H3
InChIKey IVIHYBQGYZRTDT-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c8cUB29kX2
Name 1,3-Cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-methoxyphenyl)methyl]-5,5-dimethyl-
Alternate Name(s) 2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(4-methoxyphenyl)methyl]-5, 5-dimethylcyclohexane-1,3-dione
CAS Registry Number 316138-91-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-21,27H,10-13H2,1-5H3
InChIKey IVIHYBQGYZRTDT-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES OC1=C(C(c2ccc(cc2)OC)C2C(CC(CC2=O)(C)C)=O)C(CC(C1)(C)C)=O
SPLASH splash10-0a59-9420000000-bd27533f3e55e969bea2
Wiley ID 1468693