SpectraBase Spectrum ID |
Dl1NrPUs0YB |
Name |
Dibenzo[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 |
306.068079560 u |
Formula |
C22H10O2 |
InChI |
InChI=1S/C22H10O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-10H |
InChIKey |
PGEHNUUBUQTUJB-UHFFFAOYSA-N |
Molecular Weight |
306.320 g/mol |
SMILES |
C1(=O)C2=C3C4=C(C=CC=5C4=C1C=CC5)C(C1=C3C(=CC=C1)C=C2)=O |
Spectrum/Structure Validation Score (Raman) |
0.945294 |