| SpectraBase Compound ID | Js1mEansauT |
|---|---|
| InChI | InChI=1S/C13H6N2O5/c16-13-9-2-1-3-11(15(19)20)12(9)8-5-4-7(14(17)18)6-10(8)13/h1-6H |
| InChIKey | LGDAXDNJFXVZHI-UHFFFAOYSA-N |
| Mol Weight | 270.2 g/mol |
| Molecular Formula | C13H6N2O5 |
| Exact Mass | 270.027671 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D7Ur0sZ1Hu5 |
|---|---|
| Name | 2,5-Dinitrofluoren-9-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.027671296 u |
| Formula | C13H6N2O5 |
| InChI | InChI=1S/C13H6N2O5/c16-13-9-2-1-3-11(15(19)20)12(9)8-5-4-7(14(17)18)6-10(8)13/h1-6H |
| InChIKey | LGDAXDNJFXVZHI-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C2=C1C(=O)C=1C=C(C=CC21)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957042 |