Analyte Name

Tiafenacil-d4

Molecular Formula

C19 D4 H14 Cl F4 N3 O5 S

Molecular Weight

515.9

Accurate Mass

515.084

SMILES

[2H]C([2H])(NC(=O)C(C)Sc1cc(N2C(=O)C=C(N(C)C2=O)C(F)(F)F)c(F)cc1Cl)C([2H])([2H])C(=O)OC

InChI

InChI=1S/C19H18ClF4N3O5S/c1-9(17(30)25-5-4-16(29)32-3)33-13-7-12(11(21)6-10(13)20)27-15(28)8-14(19(22,23)24)26(2)18(27)31/h6-9H,4-5H2,1-3H3,(H,25,30)/i4D2,5D2

IUPAC

methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]-2,2,3,3-tetradeuteriopropanoate

Unlabelled CAS Number

1220411-29-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat