3-Benzoyl-α-methylbenzeneacetonitrile

CAS Registry Number®

42872-30-0
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CAS Name

3-Benzoyl-α-methylbenzeneacetonitrile

Molecular Formula

C16H13NO

Molecular Mass

235.28

Cite this Page

3-Benzoyl-α-methylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=42872-30-0 (retrieved 2024-03-29) (CAS RN: 42872-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

InChIKey

InChIKey=RGYOCHMZSLUCNP-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(C(C#N)C)=CC=C1)C2=CC=CC=C2

Canonical SMILES

N#CC(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C

Other Names for this Substance

  • Benzeneacetonitrile, 3-benzoyl-α-methyl-
  • 3-Benzoyl-α-methylbenzeneacetonitrile
  • 2-(3-Benzoylphenyl)propionitrile
  • 2-(m-Benzoylphenyl)propionitrile
  • 2-(3-Benzoylphenyl)propanenitrile

Deleted or Replaced CAS Registry Numbers

162681-68-7

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