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Diethyl 4,4-dimethyl-3-(4-(2-oxopropyl)benzoyl)cyclohexane-1,1-dicarboxylate
SpectraBase Compound ID ErMJC3Sizfp
InChI InChI=1S/C24H32O6/c1-6-29-21(27)24(22(28)30-7-2)13-12-23(4,5)19(15-24)20(26)18-10-8-17(9-11-18)14-16(3)25/h8-11,19H,6-7,12-15H2,1-5H3
InChIKey PCHBZCRRTDEKDI-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMeWX1qVjX
Name Diethyl 4,4-dimethyl-3-(4-(2-oxopropyl)benzoyl)cyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-6-29-21(27)24(22(28)30-7-2)13-12-23(4,5)19(15-24)20(26)18-10-8-17(9-11-18)14-16(3)25/h8-11,19H,6-7,12-15H2,1-5H3
InChIKey PCHBZCRRTDEKDI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 416.514 g/mol
SMILES CC1(C)CCC(C(=O)OCC)(CC1C(c1ccc(cc1)CC(C)=O)=O)C(=O)OCC
SPLASH splash10-03di-0903100000-7b63b863e49eb4c8a304
Source of Spectrum ASC-355-1943/SM8-5h
Wiley ID 1761583