| SpectraBase Compound ID | AcJ8OZdb3tZ |
|---|---|
| InChI | InChI=1S/C10H13NO4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | PPYXWVQHNXBQND-UHFFFAOYSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C10H13NO4 |
| Exact Mass | 211.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Jqic4wN2cF |
|---|---|
| Name | 2,4-Diethoxy-1-nitro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.084457899 u |
| Formula | C10H13NO4 |
| InChI | InChI=1S/C10H13NO4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | PPYXWVQHNXBQND-UHFFFAOYSA-N |
| Molecular Weight | 211.217 g/mol |
| SMILES | C=1(N(=O)=O)C(=CC(=CC1)OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900356 |