| SpectraBase Spectrum ID |
5m31nmKwu2O |
| Name |
2,8-Diiododibenzo[def,mno]chrysene-6,12-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
557.861369496 u |
| Formula |
C22H8I2O2 |
| InChI |
InChI=1S/C22H8I2O2/c23-11-5-9-1-3-13-19-17(9)15(7-11)22(26)14-4-2-10-6-12(24)8-16(21(13)25)18(10)20(14)19/h1-8H |
| InChIKey |
PBYGZAKYCBYCMD-UHFFFAOYSA-N |
| Molecular Weight |
558.113 g/mol |
| SMILES |
C=1(I)C=C2C=3C4=C(C=C2)C(C2=C5C4=C(C(C3C1)=O)C=CC5=CC(=C2)I)=O |
| Spectrum/Structure Validation Score (Raman) |
0.72511 |
![2,8-Diiododibenzo[def,mno]chrysene-6,12-dione](/api/spectrum/5m31nmKwu2O/structure.png?h=300&w=458 "2,8-Diiododibenzo[def,mno]chrysene-6,12-dione")
