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CHEBI:235429 - Ring-1,2-(13)C2, dicarboxyl-(13)C2 Mono-2-ethylhexyl phthalate
| Formula | C12[13C4]H22O4 |
| Net Charge | 0 |
| Average Mass | 282.317 |
| Monoisotopic Mass | 282.16523 |
| SMILES | CCCCC(CC)CO[13C](=O)[13c]1cccc[13c]1[13C](=O)O |
| InChI | InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/i13+1,14+1,15+1,16+1 |
| InChIKey | DJDSLBVSSOQSLW-FIZPRHLTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ring-1,2-(13)C2, dicarboxyl-(13)C2 Mono-2-ethylhexyl phthalate (CHEBI:235429) is a benzoate ester (CHEBI:36054) |