SpectraBase Spectrum ID |
DaBSYWqYXjV |
Name |
Benzo[A]pyrene-7,10(7H,10H)-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/c21-16-8-9-17(22)20-14-7-6-12-3-1-2-11-4-5-13(10-15(16)20)19(14)18(11)12/h1-10H |
InChIKey |
QBQYVPBQBAJGPL-UHFFFAOYSA-N |
SMILES |
C12=CC3=C(C4=C2C=2C(C=C1)=CC=CC2C=C4)C(C=CC3=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803687 |