| SpectraBase Compound ID | HBaIMFGB7Pv |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-14-8-4-7(10(12)13)9(15-2)3-6(8)5-11/h3-5H,1-2H3 |
| InChIKey | MZUYNPXWLAMCAG-UHFFFAOYSA-N |
| Mol Weight | 211.17 g/mol |
| Molecular Formula | C9H9NO5 |
| Exact Mass | 211.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LddmC1mBAn2 |
|---|---|
| Name | 2,5-Dimethoxy-4-nitrobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.048072389 u |
| Formula | C9H9NO5 |
| InChI | InChI=1S/C9H9NO5/c1-14-8-4-7(10(12)13)9(15-2)3-6(8)5-11/h3-5H,1-2H3 |
| InChIKey | MZUYNPXWLAMCAG-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | C=1(N(=O)=O)C=C(OC)C(=CC1OC)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853481 |