| SpectraBase Compound ID | 5zmxUrmNyf7 |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-5-2-7(9(12)13)3-6(4-10)8(5)11/h2-4,11H,1H3 |
| InChIKey | BENQWWGSDGYLAU-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gki4c63837O |
|---|---|
| Name | 2-Hydroxy-3-methyl-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/c1-5-2-7(9(12)13)3-6(4-10)8(5)11/h2-4,11H,1H3 |
| InChIKey | BENQWWGSDGYLAU-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=C(C(=C1)C=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968754 |