Dimethyl sebacate

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Systematic / IUPAC Name: Dimethyl decanedioate

ID: Reference3300

Other Names: Decanedioic acid dimethyl ester;
Dimethyl decane-1,10-dioate;
Dimethyl octane-1,8-dicarboxylate;
Methyl sebacate;
Sebacic acid dimethyl ester

Formula: C12H22O4

Class: Extractables/Leachables Industrial Chemicals

Spectral Data

Dimethyl sebacate 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2015 8:09:59 AM
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Identificators

InChI InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChI Key ALOUNLDAKADEEB-UHFFFAOYSA-N
Canonical SMILES COC(=O)CCCCCCCCC(=O)OC
CAS 106796
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Other Names Decanedioic acid dimethyl ester;
Dimethyl decane-1,10-dioate;
Dimethyl octane-1,8-dicarboxylate;
Methyl sebacate;
Sebacic acid dimethyl ester

In Other Databases

ChemSpider 7541
PubChem 7829
ChemIDPlus 000106796
ChEMBL CHEMBL3186083