| SpectraBase Compound ID | 2tjGYDNzbuJ |
|---|---|
| InChI | InChI=1S/C7H6ClN3O4/c1-3-2-4(10(12)13)5(8)7(6(3)9)11(14)15/h2H,9H2,1H3 |
| InChIKey | LQYPGXYKZBSDHB-UHFFFAOYSA-N |
| Mol Weight | 231.59 g/mol |
| Molecular Formula | C7H6ClN3O4 |
| Exact Mass | 231.004683 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4JDhTt3CTTO |
|---|---|
| Name | Benzenamine, 3-chloro-6-methyl-2,4-dinitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.004683381 u |
| Formula | C7H6ClN3O4 |
| InChI | InChI=1S/C7H6ClN3O4/c1-3-2-4(10(12)13)5(8)7(6(3)9)11(14)15/h2H,9H2,1H3 |
| InChIKey | LQYPGXYKZBSDHB-UHFFFAOYSA-N |
| SMILES | CC1=CC(N(=O)=O)=C(C(=C1N)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865317 |