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Benzyl 6,6-diethoxycarbonyl-5-methyl-1,3-cyclohexadien-1-carboxylate
SpectraBase Compound ID 2noWLKhBIvc
InChI InChI=1S/C21H24O6/c1-4-25-19(23)21(20(24)26-5-2)15(3)10-9-13-17(21)18(22)27-14-16-11-7-6-8-12-16/h6-13,15H,4-5,14H2,1-3H3
InChIKey MNZJDAXTQAFELF-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwCN9n7ZBQk
Name Benzyl 6,6-diethoxycarbonyl-5-methyl-1,3-cyclohexadien-1-carboxylate
Alternate Name(s) 2-Benzyl 1,1-diethyl 6-methyl-2,4-cyclohexadiene-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-4-25-19(23)21(20(24)26-5-2)15(3)10-9-13-17(21)18(22)27-14-16-11-7-6-8-12-16/h6-13,15H,4-5,14H2,1-3H3
InChIKey MNZJDAXTQAFELF-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES C1(C(C(OCc2ccccc2)=O)=CC=CC1C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9200000000-45104c8319503e2df054
Source of Spectrum F-51-8330-10
Wiley ID 792744