| SpectraBase Compound ID | EP59lcmfNEZ |
|---|---|
| InChI | InChI=1S/C6H5NO4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H |
| InChIKey | VNIXZWLYQDIGNU-UHFFFAOYSA-N |
| Mol Weight | 155.11 g/mol |
| Molecular Formula | C6H5NO4 |
| Exact Mass | 155.021858 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Y736YaRqxw |
|---|---|
| Name | 5-Nitrosoresorcinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.021857641 u |
| Formula | C6H5NO4 |
| InChI | InChI=1S/C6H5NO4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H |
| InChIKey | VNIXZWLYQDIGNU-UHFFFAOYSA-N |
| Molecular Weight | 155.109 g/mol |
| SMILES | C1(O)=CC(O)=CC(N(=O)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850842 |