Systematic / IUPAC Name: Trimethyl benzene-1,2,4-tricarboxylate
ID: Reference7457
Other Names:
1,2,4-Benzenetricarboxylic acid trimethyl ester;
1,2,4-Tris(methoxycarbonyl)benzene;
Methyl 2,4-bis(methoxycarbonyl)benzoate;
Methyl 2,5-bis(methoxycarbonyl)benzoate;
Methyl trimellitate
; more
Formula: C12H12O6
Class: Extractables/Leachables
Trimethyl trimellitate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2018 10:44:44 AM |
| InChI | InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3 |
| InChI Key | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| CAS | 2459101 |
| Splash | |
| Other Names |
1,2,4-Benzenetricarboxylic acid trimethyl ester; 1,2,4-Tris(methoxycarbonyl)benzene; Methyl 2,4-bis(methoxycarbonyl)benzoate; Methyl 2,5-bis(methoxycarbonyl)benzoate; Methyl trimellitate; Trimellitic acid trimethyl ester; Trimethyl 1,2,4-benzenetricarboxylate |
| ChemSpider | 16243 |
| ChEMBL | CHEMBL3183850 |
| PubChem | 17159 |
| ChemIDPlus | 002459101 |