Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

CAS Registry Number®

76811-97-7
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CAS Name

Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate

Molecular Formula

C16H21ClO3

Molecular Mass

296.79

Cite this Page

Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76811-97-7 (retrieved 2024-08-13) (CAS RN: 76811-97-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21ClO3/c1-4-20-15(19)16(2,3)13-9-7-12(8-10-13)14(18)6-5-11-17/h7-10H,4-6,11H2,1-3H3

InChIKey

InChIKey=NQQITLVKOMJPDY-UHFFFAOYSA-N

SMILES

C(C(OCC)=O)(C)(C)C1=CC=C(C(CCCCl)=O)C=C1

Canonical SMILES

O=C(OCC)C(C1=CC=C(C=C1)C(=O)CCCCl)(C)C

Other Names for this Substance

  • Benzeneacetic acid, 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-, ethyl ester
  • Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate
  • Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate