3,4-Dimethoxy-α-(1-methylethyl)-α-(3-oxopropyl)benzeneacetonitrile

CAS Registry Number®

27339-25-9
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CAS Name

3,4-Dimethoxy-α-(1-methylethyl)-α-(3-oxopropyl)benzeneacetonitrile

Molecular Formula

C16H21NO3

Molecular Mass

275.34

Cite this Page

3,4-Dimethoxy-α-(1-methylethyl)-α-(3-oxopropyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27339-25-9 (retrieved 2024-08-16) (CAS RN: 27339-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21NO3/c1-12(2)16(11-17,8-5-9-18)13-6-7-14(19-3)15(10-13)20-4/h6-7,9-10,12H,5,8H2,1-4H3

InChIKey

InChIKey=WANYSCJGLCSVDW-UHFFFAOYSA-N

SMILES

C(CCC=O)(C(C)C)(C#N)C1=CC(OC)=C(OC)C=C1

Canonical SMILES

N#CC(C1=CC=C(OC)C(OC)=C1)(CCC=O)C(C)C

Other Names for this Substance

  • Benzeneacetonitrile, 3,4-dimethoxy-α-(1-methylethyl)-α-(3-oxopropyl)-
  • 3,4-Dimethoxy-α-(1-methylethyl)-α-(3-oxopropyl)benzeneacetonitrile
  • 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-oxopentanenitrile

Deleted or Replaced CAS Registry Numbers

146722-91-0