Monomethyl phthalate
2820
Reference
Monomethyl phthalate Structure
Systematic / IUPAC Name: 2-Methoxycarbonylbenzoic acid
ID: Reference2820
Other Names:
o-(Methoxycarbonyl)benzoic acid;
1,2-Benzenedicarboxylic acid 1-methyl ester;
1,2-Benzenedicarboxylic acid, monomethyl ester;
2-(Methoxycarbonyl)benzoic acid;
Methyl phthalate
; more
Formula: C9H8O4
Class: Pesticides/Herbicides Endogenous Metabolites
Spectral Data
Monomethyl phthalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 82 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/18/2015 7:59:20 AM |
Identificators
| InChI | InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChI Key | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC=CC=C1C(=O)O |
| CAS | 4376185 |
| Splash | |
| Other Names |
o-(Methoxycarbonyl)benzoic acid; 1,2-Benzenedicarboxylic acid 1-methyl ester; 1,2-Benzenedicarboxylic acid, monomethyl ester; 2-(Methoxycarbonyl)benzoic acid; Methyl phthalate; Monomethyl 1,2-benzenedicarboxylate; Monomethyl phthalate ; Phthalic acid monomethyl ester; Phthalic acid, methyl ester |
In Other Databases
| HMDb | HMDB02130 |
| ChEMBL | CHEMBL243609 |
| ChemSpider | 19207 |
| ChemIDPlus | 004376185 |
| PubChem | 20392 |