| SpectraBase Compound ID | DQzsA5UZqGb |
|---|---|
| InChI | InChI=1S/C13H11N3O4/c1-14(10-5-3-2-4-6-10)12-8-7-11(15(17)18)9-13(12)16(19)20/h2-9H,1H3 |
| InChIKey | GRJOQWGGWXHXQQ-UHFFFAOYSA-N |
| Mol Weight | 273.25 g/mol |
| Molecular Formula | C13H11N3O4 |
| Exact Mass | 273.074956 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LCDiEAxmaeq |
|---|---|
| Name | N-Methyl-2,4-dinitrodiphenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.074955842 u |
| Formula | C13H11N3O4 |
| InChI | InChI=1S/C13H11N3O4/c1-14(10-5-3-2-4-6-10)12-8-7-11(15(17)18)9-13(12)16(19)20/h2-9H,1H3 |
| InChIKey | GRJOQWGGWXHXQQ-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC(=C1)N(=O)=O)N(=O)=O)N(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955924 |