Systematic / IUPAC Name: 2-Phenylmethoxycarbonylbenzoic acid
ID: Reference2908
Other Names:
1,2-Benzenedicarboxylic acid 1-(phenylmethyl) ester;
1,2-Benzenedicarboxylic acid mono(phenylmethyl) ester;
2-(Benzyloxycarbonyl)benzoic acid ;
Benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester;
Benzene-1,2-dicarboxylic acid, monobenzyl ester
; more
Formula: C15H12O4
Class: Extractables/Leachables Industrial Chemicals Endogenous Metabolites
Monobenzyl phthalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 83 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/17/2016 11:54:05 AM |
InChI | InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) |
InChI Key | XIKIUQUXDNHBFR-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O |
CAS | 2528167 |
Splash | |
Other Names |
1,2-Benzenedicarboxylic acid 1-(phenylmethyl) ester; 1,2-Benzenedicarboxylic acid mono(phenylmethyl) ester; 2-(Benzyloxycarbonyl)benzoic acid ; Benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester; Benzene-1,2-dicarboxylic acid, monobenzyl ester; Benzyl hydrogen phthalate; Mono(phenylmethyl) 1,2-benzenedicarboxylate; Mono-n-benzyl phthalate; Mono-benzyl phthalate; Phthalic acid benzyl ester; Phthalic acid monobenzyl ester |
ChemIDPlus | 023239681; 002528167 |
PubChem | 31736 |
ChemSpider | 29430 |
ChEMBL | CHEMBL1466083 |