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Diethyl 3-(4-hydroxybenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
SpectraBase Compound ID LUCDbVP3rtC
InChI InChI=1S/C21H28O6/c1-5-26-18(24)21(19(25)27-6-2)12-11-20(3,4)16(13-21)17(23)14-7-9-15(22)10-8-14/h7-10,16,22H,5-6,11-13H2,1-4H3
InChIKey JKRORHDSNXJWMM-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIHEgYISUbn
Name Diethyl 3-(4-hydroxybenzoyl)-4,4-dimethylcyclohexane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-5-26-18(24)21(19(25)27-6-2)12-11-20(3,4)16(13-21)17(23)14-7-9-15(22)10-8-14/h7-10,16,22H,5-6,11-13H2,1-4H3
InChIKey JKRORHDSNXJWMM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300253
Molecular Weight 376.449 g/mol
SMILES Oc1ccc(C(=O)C2C(C)(C)CCC(C(OCC)=O)(C(=O)OCC)C2)cc1
SPLASH splash10-00di-0903000000-91c937f446786176561d
Source of Spectrum ASC-355-1943/SM6-5d
Wiley ID 1761579