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CHEBI:87500 - isobutyl benzoate
| Formula | C11H14O2 |
| Net Charge | 0 |
| Average Mass | 178.231 |
| Monoisotopic Mass | 178.09938 |
| SMILES | CC(C)COC(=O)c1ccccc1 |
| InChI | InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KYZHGEFMXZOSJN-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isobutyl benzoate (CHEBI:87500) has functional parent benzoic acid (CHEBI:30746) |
| isobutyl benzoate (CHEBI:87500) has functional parent isobutanol (CHEBI:46645) |
| isobutyl benzoate (CHEBI:87500) has role metabolite (CHEBI:25212) |
| isobutyl benzoate (CHEBI:87500) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| 2-methylpropyl benzoate |
| Synonym | Source |
|---|---|
| benzoic acid isobutyl ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040583 | HMDB |
| Citations |
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