| SpectraBase Compound ID | 2jBrgcDBY55 |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3 |
| InChIKey | FCWRUYPZZJPCCG-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ZQy9PcW4D4 |
|---|---|
| Name | Guanfacine artifact (hooc-) me P456 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.990134896 u |
| Formula | C9H8Cl2O2 |
| InChI | InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3 |
| InChIKey | FCWRUYPZZJPCCG-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C1=CC=C(C(CC(=O)OC)=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919883 |