| SpectraBase Compound ID | 6uMyOlC7K2c |
|---|---|
| InChI | InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16) |
| InChIKey | GMGQGZYFQSCZCW-UHFFFAOYSA-N |
| Mol Weight | 242.23 g/mol |
| Molecular Formula | C13H10N2O3 |
| Exact Mass | 242.069142 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 34TOoDvTyVn |
|---|---|
| Name | 4'-Nitrobenzanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.069142187 u |
| Formula | C13H10N2O3 |
| InChI | InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16) |
| InChIKey | GMGQGZYFQSCZCW-UHFFFAOYSA-N |
| Molecular Weight | 242.234 g/mol |
| SMILES | N(C1=CC=C(C=C1)N(=O)=O)C(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.938631 |