1,2,4-Benzenetricarboxylic acid

enlarge

Systematic / IUPAC Name: Benzene-1,2,4-tricarboxylic acid

ID: Reference7298

Other Names: 4-Carboxyphthalic acid;
Trimellitic acid;
1,2,4-Tricarboxybenzene;
1,3,4-Benzenetricarboxylic acid;
1,4,5-Benzenetricarboxylic acid

Formula: C9H6O6

Class: Extractables/Leachables

Spectral Data

1,2,4-Benzenetricarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 295
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2018 9:55:30 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI Key ARCGXLSVLAOJQL-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
CAS 528449
Splash
Other Names 4-Carboxyphthalic acid;
Trimellitic acid;
1,2,4-Tricarboxybenzene;
1,3,4-Benzenetricarboxylic acid;
1,4,5-Benzenetricarboxylic acid

In Other Databases

ChemIDPlus 000528449; 067801574; 068186323; 049577562; 049556765; 049577595; 054553876; 054553887; 068340261
PubChem 10708
ChEBI CHEBI:166055
Wikipedia Trimellitic_acid
ChEMBL CHEMBL296024
ChemSpider 10258