BETA-PHENETHYL-ISOVALERATE

Structure

2D structure of BETA-PHENETHYL-ISOVALERATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 8792

Names and identifiers

Name

BETA-PHENETHYL-ISOVALERATE

IUPAC name

phenethyl 3-methylbutanoate

SMILES

CC(C)CC(=O)OCCC1=CC=CC=C1

General information

Molecular formula

C13H18O2

Molecular weight

206.29 g/mol

Monoisotopic mass

206.1307 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Mentha spicata L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. leaf -
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.