Terephthalic acid

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Systematic / IUPAC Name: Terephthalic acid

ID: Reference1499

Other Names: p-Benzenedicarboxylic acid;
Benzene-1,4-dicarboxylic acid;
Benzene-p-dicarboxylic acid;
p-Benzenedicarboxylate;
p-Carboxybenzoic acid

Formula: C8H6O4

Class: Industrial Chemicals

Spectral Data

Terephthalic acid 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 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 9:44:32 AM
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Identificators

InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key KKEYFWRCBNTPAC-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
CAS 100210
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Other Names p-Benzenedicarboxylic acid;
Benzene-1,4-dicarboxylic acid;
Benzene-p-dicarboxylic acid;
p-Benzenedicarboxylate;
p-Carboxybenzoic acid;
4-Carboxybenzoic acid

In Other Databases

HMDb HMDB02428
ChemSpider 7208
Wikipedia Terephthalic_acid
KEGG C06337
ChemIDPlus 000100210; 007490984; 013427800; 034262890; 019727174; 025035374; 025333726; 004756530; 010028703; 003160869
PubChem 7489
ChEBI CHEBI:15702
ChEMBL CHEMBL1374420