| SpectraBase Compound ID | 5qUGwZmsQpZ |
|---|---|
| InChI | InChI=1S/C8H9NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3 |
| InChIKey | YFJFHPWXFUVRCD-UHFFFAOYSA-N |
| Mol Weight | 183.16 g/mol |
| Molecular Formula | C8H9NO4 |
| Exact Mass | 183.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpZJIoEGac8 |
|---|---|
| Name | 4-(1-Hydroxyethyl)-2-nitrophenol |
| 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/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3 |
| InChIKey | YFJFHPWXFUVRCD-UHFFFAOYSA-N |
| Molecular Weight | 183.163 g/mol |
| SMILES | C1(N(=O)=O)=CC(C(O)C)=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927763 |