rac-Trimethyl Ketoprofen (Mixture of (2’,3’4’) and (3’,4’,5’) Isomers)

• Hazard Statement:

  Toxic if swallowed; UN number: UN2811; Packing Group: III

• Purity:

  >95% (HPLC)

• Smiles:

  O=C(C1=CC=CC(C(C)C(O)=O)=C1)C2=C(C)C(C)=C(C)C=C2.O=C(C3=CC=CC(C(C)C(O)=O)=C3)C4=CC(C)=C(C)C(C)=C4

• Molecular Formula:

  C19H20O3

• Molecular Weight:

  296.36

• InChI:

  InChI=1S/2C19H20O3/c1-11-8-17(9-12(2)13(11)3)18(20)16-7-5-6-15(10-16)14(4)19(21)22;1-11-8-9-17(13(3)12(11)2)18(20)16-7-5-6-15(10-16)14(4)19(21)22/h2*5-10,14H,1-4H3,(H,21,22)

• Additionnal Information:

  IUPAC name: 2-(3-(2,3,4-trimethylbenzoyl)phenyl)propanoic acid--2-(3-(3,4,5-trimethylbenzoyl)phenyl)propanoic acid (1/1)