1,2-Dihydro-benz[j]aceanthrylen-2-ol-13C2,d4 and 5,6-Dihydro-benz[e]aceanthrylen-6-ol-13C2,d4

Analyte Name

1,2-Dihydro-benz[j]aceanthrylen-2-ol-13C2,d4 and 5,6-Dihydro-benz[e]aceanthrylen-6-ol-13C2,d4

Molecular Formula

13C2 C18 D4 H10 O . 13C2 C18 D4 H9 O

Molecular Weight

551.661

Accurate Mass

551.264

SMILES

[2H]O[13C]1([2H])c2cccc3cc4c(ccc5ccccc45)c(c23)[13C]1([2H])[2H].[2H]O[13C]6([2H])c7cc8ccccc8c9cc%10cc[c+]cc%10c(c79)[13C]6([2H])[2H]

InChI

InChI=1S/C20H13O.C20H14O/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/h1-3,5-10,19,21H,11H2;1-10,19,21H,11H2/q+1;/i2*11+1D2,19+1D,21D

Unlabelled CAS Number

88262-30-0 [j]; 85319-72-8 [e]

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat