Analyte Name

2,3',4,4',5-Pentachlorobiphenyl 13C12

CAS Number

104130-40-7

Molecular Formula

13C12 H5 Cl5

Molecular Weight

338.34

Accurate Mass

335.9236

SMILES

Cl[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13cH][13c]2Cl

InChI

InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

IUPAC

1,2,4-trichloro-5-(3,4-dichloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene

Unlabelled CAS Number

31508-00-6

SIL Type

Carbon

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat