| SpectraBase Compound ID | LEQG0JC82Y1 |
|---|---|
| InChI | InChI=1S/C7H7NO4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3 |
| InChIKey | JBDBITFUVSELQN-UHFFFAOYSA-N |
| Mol Weight | 169.14 g/mol |
| Molecular Formula | C7H7NO4 |
| Exact Mass | 169.037508 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6P5Tspu2p5G |
|---|---|
| Name | 2-Methoxy-3-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.037507705 u |
| Formula | C7H7NO4 |
| InChI | InChI=1S/C7H7NO4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3 |
| InChIKey | JBDBITFUVSELQN-UHFFFAOYSA-N |
| SMILES | OC1=C(C(=CC=C1)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.97069 |