SpectraBase Compound ID | 5XdkyN6bP3P |
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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 |
SpectraBase Spectrum ID | 5Ji0Qj7GYi |
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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 |