![3-Nitrobenzo[a]pyrene](/api/spectrum/DXFL1uFUN3O/structure.png?h=300&w=458 "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)
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| SpectraBase Spectrum ID | DXFL1uFUN3O |
|---|---|
| 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-cd58d3968fac759d133d |
| Source of Spectrum | U1-2003-3166-8 |
| Wiley ID | 1523802 |