Analyte Name

Triflusal-13C6

CAS Number

1276355-35-1

Molecular Formula

13C6 C4 H7 F3 O4

Molecular Weight

254.111

Accurate Mass

254.05

SMILES

CC(=O)O[13c]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)C(F)(F)F

InChI

InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)/i2+1,3+1,4+1,6+1,7+1,8+1

IUPAC

2-acetyloxy-4-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid

Unlabelled CAS Number

322-79-2

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat