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Diethyl 1,1-cyclohexanedicarboxylate
SpectraBase Compound ID 77rlggAHjCL
InChI InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKey MLHUKQNAQSRVKI-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ctl0hj98FdE
Name Diethyl 1,1-cyclohexanedicarboxylate
Alternate Name(s) 1,1-Cyclohexanedicarboxylic acid, diethyl ester cyclohexane-1,1-dicarboxylic acid diethyl ester Diethyl cyclohexane-1,1-dicarboxylate
CAS Registry Number 1139-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKey MLHUKQNAQSRVKI-UHFFFAOYSA-N
Molecular Weight 228.288 g/mol
SMILES CCOC(=O)C1(C(OCC)=O)CCCCC1
SPLASH splash10-003r-9500000000-5de825c3f0f7b647aef1
Wiley ID 1486877