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Diethyl 3-benzoyl-4,4-dimethylcycloheptane-1,1-dicarboxylate
SpectraBase Compound ID 1Wr7xfbv68j
InChI InChI=1S/C22H30O5/c1-5-26-19(24)22(20(25)27-6-2)14-10-13-21(3,4)17(15-22)18(23)16-11-8-7-9-12-16/h7-9,11-12,17H,5-6,10,13-15H2,1-4H3
InChIKey HIGHUIHRTSYVAZ-UHFFFAOYSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TGDMj9qUsE
Name Diethyl 3-benzoyl-4,4-dimethylcycloheptane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-5-26-19(24)22(20(25)27-6-2)14-10-13-21(3,4)17(15-22)18(23)16-11-8-7-9-12-16/h7-9,11-12,17H,5-6,10,13-15H2,1-4H3
InChIKey HIGHUIHRTSYVAZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 374.477 g/mol
SMILES CC1(C(CC(CCC1)(C(OCC)=O)C(OCC)=O)C(=O)c1ccccc1)C
SPLASH splash10-0a4i-3922000000-ef53fc70974b1e3a6ff8
Source of Spectrum ASC-355-1943/SM12-7e
Wiley ID 1761591