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Benzo[A]pyrene-7,10(7H,10H)-dione
SpectraBase Compound ID Dg4ABUVvKDt
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
Mol Weight 282.3 g/mol
Molecular Formula C20H10O2
Exact Mass 282.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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