| SpectraBase Compound ID | K2xA8i1zaru |
|---|---|
| InChI | InChI=1S/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3 |
| InChIKey | HCFBQKXQWQSMNV-UHFFFAOYSA-N |
| Mol Weight | 239.18 g/mol |
| Molecular Formula | C10H9NO6 |
| Exact Mass | 239.042987 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1333ryK55iw |
|---|---|
| Name | 4-Hydroxy-2-nitro-m-anisaldehyde, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.042987008 u |
| Formula | C10H9NO6 |
| InChI | InChI=1S/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3 |
| InChIKey | HCFBQKXQWQSMNV-UHFFFAOYSA-N |
| Molecular Weight | 239.183 g/mol |
| SMILES | N(=O)(=O)C=1C(=C(C=CC1C=O)OC(C)=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.887581 |