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2-[a-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-5-methoxysalicyl]-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID 6DCk2rVGHHL
InChI InChI=1S/C24H30O6/c1-23(2)9-16(26)21(17(27)10-23)20(14-8-13(30-5)6-7-15(14)25)22-18(28)11-24(3,4)12-19(22)29/h6-8,20-21,25,28H,9-12H2,1-5H3
InChIKey IEBGRDUSWFIRCW-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MaHKEgqG
Name 2-[a-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-5-methoxysalicyl]-5,5-dimethyl-1,3-cyclohexanedione
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-23(2)9-16(26)21(17(27)10-23)20(14-8-13(30-5)6-7-15(14)25)22-18(28)11-24(3,4)12-19(22)29/h6-8,20-21,25,28H,9-12H2,1-5H3
InChIKey IEBGRDUSWFIRCW-UHFFFAOYSA-N
Molecular Weight 414.498 g/mol
SMILES Oc1ccc(cc1C(C1=C(CC(CC1=O)(C)C)O)C1C(CC(C)(C)CC1=O)=O)OC
SPLASH splash10-0a4l-9572000000-a42815016feb1d0c7fd0
Synonyms 2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-hydroxy-5-methoxyphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
Wiley ID 1468596