Isobutyl benzoate

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Systematic / IUPAC Name: 2-Methylpropyl benzoate

ID: Reference2585

Other Names: Benzoic acid 2-methylpropyl ester;
Benzoic acid isobutyl ester

Formula: C11H14O2

Class: Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

Isobutyl benzoate 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2015 10:17:57 AM
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Identificators

InChI InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key KYZHGEFMXZOSJN-UHFFFAOYSA-N
Canonical SMILES CC(C)COC(=O)C1=CC=CC=C1
CAS 120503
Splash
Other Names Benzoic acid 2-methylpropyl ester;
Benzoic acid isobutyl ester

In Other Databases

ChEMBL CHEMBL2260714
PubChem 61048
ChemSpider 55007
ChemIDPlus 000120503
HMDb HMDB40583