| SpectraBase Compound ID | EOz7StkHSFG |
|---|---|
| InChI | InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
| InChIKey | JXIJUAWSDBACEB-UHFFFAOYSA-N |
| Mol Weight | 187.58 g/mol |
| Molecular Formula | C7H6ClNO3 |
| Exact Mass | 187.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DeMd5tfx3Lc |
|---|---|
| Name | 1-Chloro-2-methoxy-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.003620754 u |
| Formula | C7H6ClNO3 |
| InChI | InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
| InChIKey | JXIJUAWSDBACEB-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C=C(C=C1)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880729 |