| SpectraBase Compound ID | L8Lc1dbO33c |
|---|---|
| InChI | InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3 |
| InChIKey | RUIFULUFLANOCI-UHFFFAOYSA-N |
| Mol Weight | 182.13 g/mol |
| Molecular Formula | C7H6N2O4 |
| Exact Mass | 182.032757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ai08vzWTeKU |
|---|---|
| Name | Benzene, 1-methyl-3,5-dinitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.032756677 u |
| Formula | C7H6N2O4 |
| InChI | InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3 |
| InChIKey | RUIFULUFLANOCI-UHFFFAOYSA-N |
| Molecular Weight | 182.135 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889748 |