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Diethyl 5-benzoyl-4,4-dimethylcycloheptane-1,1-dicarboxylate
SpectraBase Compound ID KcNLjII2o3y
InChI InChI=1S/C22H30O5/c1-5-26-19(24)22(20(25)27-6-2)13-12-17(21(3,4)14-15-22)18(23)16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3
InChIKey DUIDBGBOKNTENS-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 2pdsggDNVQM
Name Diethyl 5-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)13-12-17(21(3,4)14-15-22)18(23)16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3
InChIKey DUIDBGBOKNTENS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 374.477 g/mol
SMILES C(C1(CCC(C(CC1)(C)C)C(=O)c1ccccc1)C(=O)OCC)(=O)OCC
SPLASH splash10-0a4i-2911000000-f047118e01408d537532
Source of Spectrum ASC-355-1943/SM11-7d
Wiley ID 1761590