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2-[4-(Diethylamino)-a-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)benzyl]-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID GZ1TdynOVuY
InChI InChI=1S/C27H37NO4/c1-7-28(8-2)18-11-9-17(10-12-18)23(24-19(29)13-26(3,4)14-20(24)30)25-21(31)15-27(5,6)16-22(25)32/h9-12,23-24,31H,7-8,13-16H2,1-6H3
InChIKey CPMIXIKPSVXRPS-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H37NO4
Exact Mass 439.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BttLFyeA0kG
Name 2-[4-(DIETHYLAMINO)-A-(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXEN-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H37NO4
InChI InChI=1S/C27H37NO4/c1-7-28(8-2)18-11-9-17(10-12-18)23(24-19(29)13-26(3,4)14-20(24)30)25-21(31)15-27(5,6)16-22(25)32/h9-12,23-24,31H,7-8,13-16H2,1-6H3
InChIKey CPMIXIKPSVXRPS-UHFFFAOYSA-N
Molecular Weight 439.2713
SMILES OC=1CC(C)(C)CC(=O)C1C(C1C(=O)CC(C)(C)CC1=O)c1ccc(N(CC)CC)cc1
SPLASH splash10-001i-9450000000-4c2e8d63216dd17ad26c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany