| SpectraBase Compound ID | FwP8avOCmrN |
|---|---|
| InChI | InChI=1S/C7H6N2O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3 |
| InChIKey | DZVZPFZSAYLSDU-UHFFFAOYSA-N |
| Mol Weight | 198.13 g/mol |
| Molecular Formula | C7H6N2O5 |
| Exact Mass | 198.027671 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2A5HNedCcBq |
|---|---|
| Name | 2,6-Dinitroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.027671296 u |
| Formula | C7H6N2O5 |
| InChI | InChI=1S/C7H6N2O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3 |
| InChIKey | DZVZPFZSAYLSDU-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=CC(=C1OC)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990966 |