| SpectraBase Compound ID | CFvvgbSh6qg |
|---|---|
| InChI | 1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3 |
| InChIKey | XSHQMMIEZHWNAK-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JmmkcsGwwg7 |
|---|---|
| Name | 2-Hydroxy-5-methyl-3-nitroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3 |
| InChIKey | XSHQMMIEZHWNAK-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C(=O)(C)C1=C(O)C(N(=O)=O)=CC(C)=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.952667 |