| SpectraBase Compound ID | 8ETjm6mJrwh |
|---|---|
| InChI | InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3 |
| InChIKey | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7IkLOiY8kAr |
|---|---|
| Name | 2'-Nitroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.042593086 u |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3 |
| InChIKey | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
| Molecular Weight | 165.148 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=CC1C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985456 |