| SpectraBase Compound ID | E9U8Rx1BvLZ |
|---|---|
| InChI | InChI=1S/C12H8ClNO4/c13-8-2-1-3-10(6-8)18-12-7-9(15)4-5-11(12)14(16)17/h1-7,15H |
| InChIKey | ITVYPNFOMKIAGC-UHFFFAOYSA-N |
| Mol Weight | 265.65 g/mol |
| Molecular Formula | C12H8ClNO4 |
| Exact Mass | 265.014185 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zKJNeHebC6 |
|---|---|
| Name | Benzene, 1-nitro-2-(m-chlorophenoxy)-4-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.014185438 u |
| Formula | C12H8ClNO4 |
| InChI | InChI=1S/C12H8ClNO4/c13-8-2-1-3-10(6-8)18-12-7-9(15)4-5-11(12)14(16)17/h1-7,15H |
| InChIKey | ITVYPNFOMKIAGC-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(=C(C=C1)N(=O)=O)OC1=CC=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897797 |