Monobenzyl phthalate

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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

Spectral Data

Monobenzyl phthalate 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 83
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 11:54:05 AM
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Identificators

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
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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

In Other Databases

ChemIDPlus 023239681; 002528167
PubChem 31736
ChemSpider 29430
ChEMBL CHEMBL1466083