Analyte Name

Bromethalin-13C6

Molecular Formula

13C6 C8 H7 Br3 F3 N3 O4

Molecular Weight

583.886

Accurate Mass

580.814

SMILES

CN([13c]1[13c](Br)[13cH][13c](Br)[13cH][13c]1Br)c2c(cc(cc2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3/i2+1,3+1,6+1,9+1,10+1,13+1

IUPAC

N-methyl-2,4-dinitro-N-(2,4,6-tribromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6-(trifluoromethyl)aniline

Unlabelled CAS Number

63333-35-7

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat