CAS Registry Number: 63458-98-0

Name:

1,​3-​Butanedione, 1-​(3,​4-​dimethoxyphenyl)​-​4,​4,​4-​trifluoro-
1-​(3,​4-​Dimethoxyphenyl)​-​4,​4,​4-​trifluoro-​1,​3-​butanedione; 4,​4,​4-​Trifluoro-​1-​(3,​4-​dimethoxyphenyl)​-​1,​3-​butanedione 

Chemical Formula: C12H11F3O4
Exact Mass: 276.06
Molecular Weight: 276.21
m/z: 276.06 (100.0%), 277.06 (13.0%), 278.07 (1.6%)

InChI: InChI=1S/C12H11F3O4/c1-18-9-4-3-7(5-10(9)19-2)8(16)6-11(17)12(13,14)15/h3-5H,6H2,1-2H3
InChIKey: QYQACDYPMNIAMN-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)C(=O)CC(=O)C(F)(F)F)OC

Specification

98%

PCT Int. Appl. (2013), WO 2013181579 A2 20131205. 

Chemistry Letters (2014), 43(4), 492-494.