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2-Methylcyclohexane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 4SaoQiIuZrt
InChI InChI=1S/C13H22O4/c1-4-16-11(14)13(12(15)17-5-2)9-7-6-8-10(13)3/h10H,4-9H2,1-3H3
InChIKey MGCXPTONXMVEMP-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CSXNCzCouA
Name 2-Methylcyclohexane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 2-methylcyclohexane-1,1-dicarboxylate
CAS Registry Number 5222-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-16-11(14)13(12(15)17-5-2)9-7-6-8-10(13)3/h10H,4-9H2,1-3H3
InChIKey MGCXPTONXMVEMP-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES CCOC(=O)C1(C(OCC)=O)C(C)CCCC1
SPLASH splash10-00dj-7900000000-214b1c3b386ad783c932
Source of Spectrum I-67-560-40
Wiley ID 1244965