| SpectraBase Compound ID | LIArZZfI9uB |
|---|---|
| InChI | InChI=1S/C8H9ClO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5H2,1H3 |
| InChIKey | FOULXTLTJQHXDH-UHFFFAOYSA-N |
| Mol Weight | 172.61 g/mol |
| Molecular Formula | C8H9ClO2 |
| Exact Mass | 172.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G962wepagH7 |
|---|---|
| Name | Mdbp-m cl-artifact @P326 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.029107228 u |
| Formula | C8H9ClO2 |
| InChI | InChI=1S/C8H9ClO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5H2,1H3 |
| InChIKey | FOULXTLTJQHXDH-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(OC)=C1O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945177 |