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2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)cinnamyl]-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID 2pxI3Huehf1
InChI InChI=1S/C25H30O4/c1-24(2)12-18(26)22(19(27)13-24)17(11-10-16-8-6-5-7-9-16)23-20(28)14-25(3,4)15-21(23)29/h5-11,17,22,28H,12-15H2,1-4H3/b11-10+
InChIKey IHCRPHVAXDYTQR-ZHACJKMWSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dPKR9TROkQ
Name 2-[A-(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXEN-1-YL)CINNAMYL]-5,5-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-24(2)12-18(26)22(19(27)13-24)17(11-10-16-8-6-5-7-9-16)23-20(28)14-25(3,4)15-21(23)29/h5-11,17,22,28H,12-15H2,1-4H3/b11-10+
InChIKey IHCRPHVAXDYTQR-ZHACJKMWSA-N
Molecular Weight 394.2136
SMILES OC=1CC(C)(C)CC(=O)C1C(\C=C\c1ccccc1)C1C(=O)CC(C)(C)CC1=O
SPLASH splash10-0pc3-9620000000-c53b8bd7fdbe121cbb36
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany