| SpectraBase Compound ID | 3UNR3WfNwo3 |
|---|---|
| InChI | InChI=1S/C9H8N2O5/c1-5(12)10-8-4-6(11(15)16)2-3-7(8)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14) |
| InChIKey | OAYHLMVCNPUEPI-UHFFFAOYSA-N |
| Mol Weight | 224.17 g/mol |
| Molecular Formula | C9H8N2O5 |
| Exact Mass | 224.043321 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FLbaQl90sFY |
|---|---|
| Name | N-Acetyl-4-nitroanthranilic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.043321361 u |
| Formula | C9H8N2O5 |
| InChI | InChI=1S/C9H8N2O5/c1-5(12)10-8-4-6(11(15)16)2-3-7(8)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14) |
| InChIKey | OAYHLMVCNPUEPI-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(C=C1NC(C)=O)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971487 |