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Diethyl 3-(4-methoxybenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
SpectraBase Compound ID CtnaI0ApWDN
InChI InChI=1S/C22H30O6/c1-6-27-19(24)22(20(25)28-7-2)13-12-21(3,4)17(14-22)18(23)15-8-10-16(26-5)11-9-15/h8-11,17H,6-7,12-14H2,1-5H3
InChIKey XWKUBMUSAAKFSG-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMkTzYxmL2f
Name Diethyl 3-(4-methoxybenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-6-27-19(24)22(20(25)28-7-2)13-12-21(3,4)17(14-22)18(23)15-8-10-16(26-5)11-9-15/h8-11,17H,6-7,12-14H2,1-5H3
InChIKey XWKUBMUSAAKFSG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 390.476 g/mol
SMILES C(C1(CCC(C(C1)C(=O)c1ccc(cc1)OC)(C)C)C(OCC)=O)(=O)OCC
SPLASH splash10-000i-0901000000-c2a1252d154113c23c81
Source of Spectrum ASC-355-1943/SM3-2
Wiley ID 1761575