| SpectraBase Compound ID | EcA4bRsVmOp |
|---|---|
| InChI | InChI=1S/C7H7NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2 |
| InChIKey | ODWVFIWBWJXDMT-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 | 37BDrWOF7oS |
|---|---|
| Name | 3-Methylol-4-nitro-phenol |
| 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/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2 |
| InChIKey | ODWVFIWBWJXDMT-UHFFFAOYSA-N |
| Molecular Weight | 169.136 g/mol |
| SMILES | C(O)C=1C(=CC=C(C1)O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990368 |