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3-methylbutyl 4-butylbenzoate

3-methylbutyl 4-butylbenzoate

Systemtic Name:3-methylbutyl 4-butylbenzoate
Openeye Name:isopentyl 4-butylbenzoate
CAS Name:4-butylbenzoic acid 3-methylbutyl ester
IUPAC Name:3-methylbutyl 4-butylbenzoate
Traditional Name:4-butylbenzoic acid isoamyl ester
Formula: C16H24O2
MolecularWeight: 248.36056
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCCC(C)C


Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCCC(C)C


InChI

InChI=1S/C16H24O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3


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