| SpectraBase Compound ID | 3a1v9DwbtUQ |
|---|---|
| InChI | InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H |
| InChIKey | MAZCGYFIOOIVHE-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C16H9NO2 |
| Exact Mass | 247.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GayFmPud2dD |
|---|---|
| Name | 2-Nitropyrene |
| CAS Registry Number | 789-07-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H9NO2 |
| InChI | InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H |
| InChIKey | MAZCGYFIOOIVHE-UHFFFAOYSA-N |
| Molecular Weight | 247.253 g/mol |
| SMILES | c1(N(=O)=O)cc2ccc3c4c2c(c1)ccc4ccc3 |
| SPLASH | splash10-0udi-0190000000-9126fb468d0a6d0d9017 |
| Source of Spectrum | J-61-5273-8 |
| Wiley ID | 1250226 |