Analyte Name

1,3-Dinitropyrene +1,6-Dinitropyrene + 1,8-Dinitropyrene

Molecular Formula

3 C16 H8 N2 O4

Molecular Weight

876.737

Accurate Mass

876.145

SMILES

[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-].[O-][N+](=O)c5ccc6ccc7ccc(c8ccc5c6c78)[N+](=O)[O-].[O-][N+](=O)c9cc(c%10ccc%11cccc%12ccc9c%10c%11%12)[N+](=O)[O-]

InChI

InChI=1S/3C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12;19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12;19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h3*1-8H

IUPAC

1,3-dinitropyrene;1,6-dinitropyrene;1,8-dinitropyrene

Country of Origin

CANADA

Product Format

Neat