| SpectraBase Compound ID | DSkWAfd0iV8 |
|---|---|
| InChI | InChI=1S/C9H10N2O4/c1-2-9(13)10-7-5-6(11(14)15)3-4-8(7)12/h3-5,12H,2H2,1H3,(H,10,13) |
| InChIKey | CSZHMLBVZYXFLW-UHFFFAOYSA-N |
| Mol Weight | 210.19 g/mol |
| Molecular Formula | C9H10N2O4 |
| Exact Mass | 210.064057 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IN6pOyuBB1X |
|---|---|
| Name | 2'-Hydroxy-5'-nitropropionanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.064056806 u |
| Formula | C9H10N2O4 |
| InChI | InChI=1S/C9H10N2O4/c1-2-9(13)10-7-5-6(11(14)15)3-4-8(7)12/h3-5,12H,2H2,1H3,(H,10,13) |
| InChIKey | CSZHMLBVZYXFLW-UHFFFAOYSA-N |
| SMILES | OC1=CC=C(C=C1NC(CC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958537 |