| SpectraBase Compound ID | K9EuyLAfaeC |
|---|---|
| InChI | InChI=1S/C8H9NO4/c1-5-3-6(9(11)12)7(10)4-8(5)13-2/h3-4,10H,1-2H3 |
| InChIKey | FXZCVQNSGFVTIP-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 | NgR3wj2BpZ |
|---|---|
| Name | 5-Methoxy-4-methyl-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/c1-5-3-6(9(11)12)7(10)4-8(5)13-2/h3-4,10H,1-2H3 |
| InChIKey | FXZCVQNSGFVTIP-UHFFFAOYSA-N |
| Molecular Weight | 183.163 g/mol |
| SMILES | C1(N(=O)=O)=C(C=C(C(=C1)C)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942912 |