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4-Nitrobenzo[a]pyrene
SpectraBase Compound ID DOHcfqM8k2H
InChI InChI=1S/C20H11NO2/c22-21(23)18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11H
InChIKey PMACLRKUWODJAN-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C20H11NO2
Exact Mass 297.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pKRiNndkQF
Name 4-Nitrobenzo[a]pyrene
CAS Registry Number 10935-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11NO2
InChI InChI=1S/C20H11NO2/c22-21(23)18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11H
InChIKey PMACLRKUWODJAN-UHFFFAOYSA-N
Molecular Weight 297.313 g/mol
SMILES c12c3c4cccc3ccc1c1ccccc1cc2cc4N(=O)=O
SPLASH splash10-0fvj-0690000000-59384c411058cc2e7935
Source of Spectrum W5-1989-35720-29816
Wiley ID 1300352