ISOBUTYL-PHTHALATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 92272
Name
ISOBUTYL-PHTHALATE
IUPAC name
2-(isobutoxycarbonyl)benzoic acid
SMILES
CC(C)COC(=O)C1=CC=CC=C1C(=O)O
Molecular formula
C12H14O4
Molecular weight
222.24 g/mol
Monoisotopic mass
222.0892 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Lythrum salicaria L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|