| SpectraBase Compound ID | FfcIZNPdFoe |
|---|---|
| InChI | InChI=1S/C9H7NO6/c11-4-6-1-2-7(10(14)15)3-8(6)16-5-9(12)13/h1-4H,5H2,(H,12,13) |
| InChIKey | AQBSXYORVWPBEY-UHFFFAOYSA-N |
| Mol Weight | 225.16 g/mol |
| Molecular Formula | C9H7NO6 |
| Exact Mass | 225.027337 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6L1A5S49siO |
|---|---|
| Name | (2-Formyl-5-nitrophenoxy)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.027336943 u |
| Formula | C9H7NO6 |
| InChI | InChI=1S/C9H7NO6/c11-4-6-1-2-7(10(14)15)3-8(6)16-5-9(12)13/h1-4H,5H2,(H,12,13) |
| InChIKey | AQBSXYORVWPBEY-UHFFFAOYSA-N |
| Molecular Weight | 225.156 g/mol |
| SMILES | OC(COC1=C(C=CC(=C1)N(=O)=O)C=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.982807 |