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Diethyl 3-benzoyl-4,4-dimethylcyclohexane-1,1-dicarboxylate
SpectraBase Compound ID I42MWZWGVPs
InChI InChI=1S/C21H28O5/c1-5-25-18(23)21(19(24)26-6-2)13-12-20(3,4)16(14-21)17(22)15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3
InChIKey YXAWKIOGWLDGJL-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zhw6FKpHF
Name Diethyl 3-benzoyl-4,4-dimethylcyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-5-25-18(23)21(19(24)26-6-2)13-12-20(3,4)16(14-21)17(22)15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3
InChIKey YXAWKIOGWLDGJL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 360.450 g/mol
SMILES CC1(C)CCC(C(OCC)=O)(C(=O)OCC)CC1C(=O)c1ccccc1
SPLASH splash10-0a4i-1904000000-7c2d5d6e0f67f6a1168b
Source of Spectrum ASC-355-1943/SM4-5a
Wiley ID 1761577