| SpectraBase Compound ID | 3Okp5Tmfe0C |
|---|---|
| InChI | InChI=1S/C8H9NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10H,5H2,1H3 |
| InChIKey | XJVDLGZUYYAXLS-UHFFFAOYSA-N |
| Mol Weight | 183.16 g/mol |
| Molecular Formula | C8H9NO4 |
| Exact Mass | 183.053158 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C0HGT3FN2g2 |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.053157770 u |
| Formula | C8H9NO4 |
| InChI | InChI=1S/C8H9NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10H,5H2,1H3 |
| InChIKey | XJVDLGZUYYAXLS-UHFFFAOYSA-N |
| Molecular Weight | 183.163 g/mol |
| SMILES | C(C1=CC(=C(C=C1)OC)N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.788299 |