Dimethyl isophthalate

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Systematic / IUPAC Name: Dimethyl benzene-1,3-dicarboxylate

ID: Reference696

Other Names: Isophthalic acid dimethyl ester;
Methyl 3-(carbomethoxy)benzoate;
Dimethyl 1,3-benzenedicarboxylate;
1,3-Benzenedicarboxylic acid dimethyl ester;
Methyl 3-(methoxycarbonyl)benzoate ; more

Formula: C10H10O4

Class: Industrial Chemicals

Spectral Data

Dimethyl isophthalate 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 4:24:55 PM
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Identificators

InChI InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
CAS 1459934
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Other Names Isophthalic acid dimethyl ester;
Methyl 3-(carbomethoxy)benzoate;
Dimethyl 1,3-benzenedicarboxylate;
1,3-Benzenedicarboxylic acid dimethyl ester;
Methyl 3-(methoxycarbonyl)benzoate;
1,3-Dimethyl benzene-1,3-dicarboxylate;
Benzene-1,3-dicarboxylic acid dimethyl ester

In Other Databases

Wikipedia Dimethyl phthalate
ChemSpider 14360
ChEMBL CHEMBL2010300
PubChem 15088
ChemIDPlus 001459934