phenethyl 3-fluoranyl-3-methyl-butanoate

Systemtic Name: phenethyl 3-fluoranyl-3-methyl-butanoate Openeye Name: phenethyl 3-fluoro-3-methyl-butanoate CAS Name: 3-fluoro-3-methylbutanoic acid phenethyl ester IUPAC Name: phenethyl 3-fluoro-3-methylbutanoate Traditional Name: 3-fluoro-3-methyl-butyric acid phenethyl ester Formula: C13H17FO2 MolecularWeight: 224.271283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FO2/c1-13(2,14)10-12(15)16-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3