Monobutyl phthalate

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Systematic / IUPAC Name: 2-Butoxycarbonylbenzoic acid

ID: Reference2821

Other Names: 2-(Butoxycarbonyl)benzoic acid;
MBP;
1,2-Benzenedicarboxylic acid 1-butyl ester;
1,2-Benzenedicarboxylic acid, monobutyl ester;
Butyl hydrogen phthalate ; more

Formula: C12H14O4

Class: Extractables/Leachables Industrial Chemicals Endogenous Metabolites

Spectral Data

Monobutyl 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 2
No. of Spectra 219
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/18/2015 10:40:13 AM
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Identificators

InChI InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI Key YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Canonical SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)O
CAS 131704
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Other Names 2-(Butoxycarbonyl)benzoic acid;
MBP;
1,2-Benzenedicarboxylic acid 1-butyl ester;
1,2-Benzenedicarboxylic acid, monobutyl ester;
Butyl hydrogen phthalate;
Mono-n-butyl phthalate;
Phthalic acid butyl ester;
Phthalic acid mono-n-butyl ester;
Phthalic acid monobutyl ester

In Other Databases

PubChem 8575
ChemSpider 8257
ChEMBL CHEMBL2447930
ChemIDPlus 000131704; 005423381; 000034742
HMDb HMDB13247