3-BUTYLPHTHALIDE

Structure

2D structure of 3-BUTYLPHTHALIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 61361

Names and identifiers

Name

3-BUTYLPHTHALIDE

IUPAC name

3-butylisobenzofuran-1(3H)-one

SMILES

CCCCC1C2=CC=CC=C2C(=O)O1

General information

Molecular formula

C12H14O2

Molecular weight

190.24 g/mol

Monoisotopic mass

190.0994 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Trifolium pratense L. subsp. pratense flower 20 ppm
Buchnauer,G.,Jirovetz,L.,Nikiforov,A.1996.Comparative Investigation of Essential Clover Flower Oils from Austria Using Gas Chromatography-Flame Ionization Detection,Gas Chromatography-Mass Spectometry,and Gas Chrom.-Olfactometry.J.Agrc.Food Chem.44:1827-8