phenethyl 3-methylbutanoate

Systemtic Name: phenethyl 3-methylbutanoate Openeye Name: phenethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid phenethyl ester IUPAC Name: phenethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid phenethyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3