SpectraBase Spectrum ID |
48qlGTLYAqb |
Name |
Benzo[J]fluoranthene-9,10-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.068079560 u |
Formula |
C20H10O2 |
InChI |
InChI=1S/C20H10O2/c21-17-10-9-14-15(20(17)22)8-7-13-12-5-1-3-11-4-2-6-16(18(11)12)19(13)14/h1-10H |
InChIKey |
GEGRRWRBZPQHMD-UHFFFAOYSA-N |
SMILES |
C12=C3C(C(=O)C(C=C3)=O)=CC=C1C1=CC=CC=3C1=C2C=CC3 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920069 |