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3-Nitrobenzo[a]pyrene
SpectraBase Compound ID 5XdkyN6bP3P
InChI InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H
InChIKey CQIJHYPCKYZMIV-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 5Ji0Qj7GYi
Name 3-Nitrobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11NO2
InChI InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H
InChIKey CQIJHYPCKYZMIV-UHFFFAOYSA-N
Molecular Weight 297.313 g/mol
SMILES c12c3c4c(N(=O)=O)ccc3ccc1c1ccccc1cc2cc4
SPLASH splash10-0udj-0190000000-ab9480061b7a17b436e9
Source of Spectrum J-61-5273-17
Wiley ID 1300357