| SpectraBase Compound ID | 778EdJ6d6WL |
|---|---|
| InChI | InChI=1S/C9H11N3O3/c1-6-5-7(12(14)15)3-4-8(6)11-9(13)10-2/h3-5H,1-2H3,(H2,10,11,13) |
| InChIKey | BBGLECYMEVSKCY-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C9H11N3O3 |
| Exact Mass | 209.080041 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IkDP1j3C5MT |
|---|---|
| Name | 1-Methyl-3-(4-nitro-o-tolyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.080041223 u |
| Formula | C9H11N3O3 |
| InChI | InChI=1S/C9H11N3O3/c1-6-5-7(12(14)15)3-4-8(6)11-9(13)10-2/h3-5H,1-2H3,(H2,10,11,13) |
| InChIKey | BBGLECYMEVSKCY-UHFFFAOYSA-N |
| Molecular Weight | 209.205 g/mol |
| SMILES | N(C1=CC=C(C=C1C)N(=O)=O)C(NC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947723 |