Musk ketone

CAS Registry Number®

81-14-1

CAS Name

Musk ketone

Molecular Formula

C14H18N2O5

Molecular Mass

294.30

Cite this Page

Musk ketone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81-14-1 (retrieved 2024-11-22) (CAS RN: 81-14-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3

InChIKey

InChIKey=WXCMHFPAUCOJIG-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=C(N(=O)=O)C(C)=C(C(C)=O)C(C)=C1N(=O)=O

Canonical SMILES

O=C(C=1C(=C(C(=C(C1C)N(=O)=O)C(C)(C)C)N(=O)=O)C)C

Other Names for this Substance

  • Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
  • Acetophenone, 4′-tert-butyl-2′,6′-dimethyl-3′,5′-dinitro-
  • 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone
  • 4-Aceto-3,5-dimethyl-2,6-dinitro-tert-butylbenzene
  • 4′-tert-Butyl-2′,6′-dimethyl-3′,5′-dinitroacetophenone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration