| SpectraBase Compound ID | JydO69NC7Pb |
|---|---|
| InChI | InChI=1S/C7H6N4O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,8H2,1H3 |
| InChIKey | RSUBARQODWIKOQ-UHFFFAOYSA-N |
| Mol Weight | 242.15 g/mol |
| Molecular Formula | C7H6N4O6 |
| Exact Mass | 242.028734 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AAIdwUbxZBL |
|---|---|
| Name | 2,4,6-Trinitro-m-toluidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.028733923 u |
| Formula | C7H6N4O6 |
| InChI | InChI=1S/C7H6N4O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,8H2,1H3 |
| InChIKey | RSUBARQODWIKOQ-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C(=C(C=C(C1C)N(=O)=O)N(=O)=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.972112 |