| SpectraBase Compound ID | 1Fh86zd0k4y |
|---|---|
| InChI | InChI=1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12) |
| InChIKey | QCJROOYLFVYZEP-UHFFFAOYSA-N |
| Mol Weight | 227.17 g/mol |
| Molecular Formula | C9H9NO6 |
| Exact Mass | 227.042987 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LUWKqFgc0xX |
|---|---|
| Name | 2,5-Dimethoxy-3-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.042987008 u |
| Formula | C9H9NO6 |
| InChI | InChI=1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12) |
| InChIKey | QCJROOYLFVYZEP-UHFFFAOYSA-N |
| Molecular Weight | 227.172 g/mol |
| SMILES | C=1(OC)C=C(C(=C(C1)N(=O)=O)OC)C(=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.962926 |