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Diethyl 3-(3-acetylbenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
SpectraBase Compound ID EurIEzVbTOv
InChI InChI=1S/C23H30O6/c1-6-28-20(26)23(21(27)29-7-2)12-11-22(4,5)18(14-23)19(25)17-10-8-9-16(13-17)15(3)24/h8-10,13,18H,6-7,11-12,14H2,1-5H3
InChIKey XFBRTTFPAIUHJA-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa5jROkPYCF
Name Diethyl 3-(3-acetylbenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/c1-6-28-20(26)23(21(27)29-7-2)12-11-22(4,5)18(14-23)19(25)17-10-8-9-16(13-17)15(3)24/h8-10,13,18H,6-7,11-12,14H2,1-5H3
InChIKey XFBRTTFPAIUHJA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 402.487 g/mol
SMILES CC1(C)CCC(C(=O)OCC)(C(=O)OCC)CC1C(c1cc(ccc1)C(=O)C)=O
SPLASH splash10-0f6t-1944300000-cc698b29859859ac19d4
Source of Spectrum ASC-355-1943/SM7-5g
Wiley ID 1761582