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2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione
SpectraBase Compound ID FvgBLHuRtdW
InChI InChI=1S/C25H32O6/c1-24(2)9-16(27)22(17(28)10-24)21(14-6-7-20(31-5)15(8-14)13-26)23-18(29)11-25(3,4)12-19(23)30/h6-8,21-22,26,29H,9-13H2,1-5H3
InChIKey UVAGNMCEZQXRBQ-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H32O6
Exact Mass 428.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDLSbNtyIi3
Name 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O6
InChI InChI=1S/C25H32O6/c1-24(2)9-16(27)22(17(28)10-24)21(14-6-7-20(31-5)15(8-14)13-26)23-18(29)11-25(3,4)12-19(23)30/h6-8,21-22,26,29H,9-13H2,1-5H3
InChIKey UVAGNMCEZQXRBQ-UHFFFAOYSA-N
Molecular Weight 428.525 g/mol
SMILES OCc1cc(C(C2=C(CC(CC2=O)(C)C)O)C2C(CC(CC2=O)(C)C)=O)ccc1OC
SPLASH splash10-053u-9540100000-969bee9d1b3f362152aa
Synonyms 2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(4-methoxy-3-methylol-phenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione
Wiley ID 1453895