| SpectraBase Compound ID | L3dYeOQpiiN |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3 |
| InChIKey | YWVSKFXYEWMHEO-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1YY8bALsBV7 |
|---|---|
| Name | 2-Methoxy-5-nitrobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.037507705 u |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3 |
| InChIKey | YWVSKFXYEWMHEO-UHFFFAOYSA-N |
| Molecular Weight | 181.147 g/mol |
| SMILES | COC1=C(C=O)C=C(C=C1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Raman) | 0.972991 |