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5-ethanoyl-2-(2-methylpropyl)benzenecarbonitrile

5-ethanoyl-2-(2-methylpropyl)benzenecarbonitrile

Systemtic Name:5-ethanoyl-2-(2-methylpropyl)benzenecarbonitrile
Openeye Name:5-acetyl-2-isobutyl-benzonitrile
CAS Name:5-acetyl-2-(2-methylpropyl)benzonitrile
IUPAC Name:5-acetyl-2-(2-methylpropyl)benzonitrile
Traditional Name:5-acetyl-2-isobutyl-benzonitrile
Formula: C13H15NO
MolecularWeight: 201.2643
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C=C1)C(=O)C)C#N


Isomeric SMILES

CC(C)CC1=C(C=C(C=C1)C(=O)C)C#N


InChI

InChI=1S/C13H15NO/c1-9(2)6-12-5-4-11(10(3)15)7-13(12)8-14/h4-5,7,9H,6H2,1-3H3


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