| SpectraBase Compound ID | GNN857a7iev |
|---|---|
| InChI | InChI=1S/C9H9N3O/c1-6(13)12-9-4-8(11)3-2-7(9)5-10/h2-4H,11H2,1H3,(H,12,13) |
| InChIKey | TUEWLKSWIXPANW-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C9H9N3O |
| Exact Mass | 175.074562 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8QM9kADyscN |
|---|---|
| Name | 5'-Amino-2'-cyanoacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.074561921 u |
| Formula | C9H9N3O |
| InChI | InChI=1S/C9H9N3O/c1-6(13)12-9-4-8(11)3-2-7(9)5-10/h2-4H,11H2,1H3,(H,12,13) |
| InChIKey | TUEWLKSWIXPANW-UHFFFAOYSA-N |
| Molecular Weight | 175.191 g/mol |
| SMILES | NC=1C=CC(=C(C1)NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.895723 |