Dimethyl cyclohexane-1,4-dicarboxylate

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Systematic / IUPAC Name: Dimethyl 1,4-cyclohexanedicarboxylate

ID: Reference695

Other Names: Dimethyl cyclohexane-1,4-dicarboxylate;
Dimethyl hexahydroterephthalate;
1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester

Formula: C10H16O4

Spectral Data

Dimethyl cyclohexane-1,4-dicarboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/23/2015 3:57:56 PM
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Identificators

InChI InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChI Key LNGAGQAGYITKCW-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1CCC(CC1)C(=O)OC
CAS 94600
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Other Names Dimethyl cyclohexane-1,4-dicarboxylate;
Dimethyl hexahydroterephthalate;
1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester

In Other Databases

PubChem 7198
ChemSpider 6930
ChEMBL CHEMBL1894902
ChemIDPlus 000094600; 003399222