| SpectraBase Compound ID | 9YmQCAnP7uf |
|---|---|
| InChI | InChI=1S/C8H7NO5/c1-4(10)5-2-6(9(13)14)8(12)3-7(5)11/h2-3,11-12H,1H3 |
| InChIKey | YDIKNQXUAAPWCX-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3pMLZdMz9TY |
|---|---|
| Name | 2',4'-Dihydroxy-5'-nitroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.032422324 u |
| Formula | C8H7NO5 |
| InChI | InChI=1S/C8H7NO5/c1-4(10)5-2-6(9(13)14)8(12)3-7(5)11/h2-3,11-12H,1H3 |
| InChIKey | YDIKNQXUAAPWCX-UHFFFAOYSA-N |
| Molecular Weight | 197.146 g/mol |
| SMILES | OC=1C(=CC(=C(C1)O)N(=O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985692 |