Analyte Name

3,5,3',5'-Tetrachlorobisphenol A-13C12

CAS Number

2731776-94-4

Molecular Formula

C3¹³C12H12Cl4O2

Molecular Weight

377.98

Accurate Mass

376

SMILES

Cl[13C]1=[13C](O)[13C](Cl)=[13C]([H])[13C](C(C)(C)[13C]2=[13C]([H])[13C](Cl)=[13C](O)[13C](Cl)=[13C]2[H])=[13C]1[H]

InChI

InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1

IUPAC

4,4'-(propane-2,2-diyl)bis(2,6-dichlorophenol-13C6)

Unlabelled CAS Number

79-95-8

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat