SpectraBase Spectrum ID |
HwJqBlvgW4y |
Name |
Dibenz[A,J]anthracene-5,6-quinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.083729624 u |
Formula |
C22H12O2 |
InChI |
InChI=1S/C22H12O2/c23-21-17-8-4-3-7-16(17)19-12-18-14(11-20(19)22(21)24)10-9-13-5-1-2-6-15(13)18/h1-12H |
InChIKey |
DWSGCTNHBVQEOP-UHFFFAOYSA-N |
Molecular Weight |
308.336 g/mol |
SMILES |
C1=C2C(=C3C(=C1)C=C1C(=C3)C3=C(C=CC=C3)C(C1=O)=O)C=CC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908464 |