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 Google Search
Mol Weight	439.6 g/mol
Molecular Formula	C27H37NO4
Exact Mass	439.272259 g/mol

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SpectraBase Spectrum ID	6NS68lGX8WS
Name	2-[4-(Diethylamino)-a-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)benzyl]-5,5-dimethyl-1,3-cyclohexanedione
CAS Registry Number	304448-46-2
Comments	Structure changed after expert review
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. 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	439.596 g/mol
SMILES	OC1=C(C(c2ccc(cc2)N(CC)CC)C2C(CC(CC2=O)(C)C)=O)C(CC(C1)(C)C)=O
SPLASH	splash10-001i-9450000000-afe85a3975c8cd443fe1
Synonyms	2-[[4-(Diethylamino)phenyl](2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
Wiley ID	1468685