| SpectraBase Compound ID | 1lobQFvKgww |
|---|---|
| InChI | InChI=1S/C7H4N2O6/c10-8(11)4-1-5(9(12)13)7-6(2-4)14-3-15-7/h1-2H,3H2 |
| InChIKey | CKAIQAXLHPZVRA-UHFFFAOYSA-N |
| Mol Weight | 212.12 g/mol |
| Molecular Formula | C7H4N2O6 |
| Exact Mass | 212.006936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3bmOjw1RiTQ |
|---|---|
| Name | 4,6-Dinitro-1,3-benzodioxole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.006935851 u |
| Formula | C7H4N2O6 |
| InChI | InChI=1S/C7H4N2O6/c10-8(11)4-1-5(9(12)13)7-6(2-4)14-3-15-7/h1-2H,3H2 |
| InChIKey | CKAIQAXLHPZVRA-UHFFFAOYSA-N |
| Molecular Weight | 212.117 g/mol |
| SMILES | C1(N(=O)=O)=C2C(OCO2)=CC(N(=O)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98102 |