Analyte Name

Benz[j]aceanthrylen-2(1H)-one13C2,d2 and Benz[e]aceanthrylen-6(5H)-one13C2,d2

Molecular Formula

13C2 C18 D2 H10 O . 13C2 C18 D2 H9 O

Molecular Weight

543.605

Accurate Mass

543.208

SMILES

[2H][13C]1([2H])[13C](=O)c2cccc3cc4c(ccc5ccccc45)c1c23.[2H][13C]6([2H])[13C](=O)c7cc8ccccc8c9cc%10cc[c+]cc%10c6c79

InChI

InChI=1S/C20H11O.C20H12O/c21-19-11-17-15-8-4-1-5-12(15)9-16-14-7-3-2-6-13(14)10-18(19)20(16)17;21-19-11-18-15-9-8-12-4-1-2-6-14(12)17(15)10-13-5-3-7-16(19)20(13)18/h1-3,5-10H,11H2;1-10H,11H2/q+1;/i2*11+1D2,19+1

Unlabelled CAS Number

85319-69-3 [j]; 85319-70-6 [e]

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat