Analyte Name

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

Molecular Formula

2 13C2 C18 H12 O

Molecular Weight

540.588

Accurate Mass

540.191

SMILES

O=[13C]1[13CH2]c2c3ccc4ccccc4c3cc5cccc1c25.O=[13C]6[13CH2]c7c8ccccc8cc9c%10ccccc%10cc6c79

InChI

InChI=1S/2C20H12O/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/h2*1-10H,11H2/i2*11+1,19+1

IUPAC

1H-benzo[j]aceanthrylen-2-one;pentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2(7),3,5,8,12(20),13,15,17-nonaen-10-one

Unlabelled CAS Number

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

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat