| SpectraBase Compound ID | GRaQdCsscdz |
|---|---|
| InChI | InChI=1S/C9H8ClNO2/c1-13-9-5-7(10)6(2-3-11)4-8(9)12/h4-5,12H,2H2,1H3 |
| InChIKey | VPBLQYVWQDBKGJ-UHFFFAOYSA-N |
| Mol Weight | 197.62 g/mol |
| Molecular Formula | C9H8ClNO2 |
| Exact Mass | 197.024356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3jLLgjL21YA |
|---|---|
| Name | 2-Chloro-5-hydroxy-4-methoxyphenyl acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.024356200 u |
| Formula | C9H8ClNO2 |
| InChI | InChI=1S/C9H8ClNO2/c1-13-9-5-7(10)6(2-3-11)4-8(9)12/h4-5,12H,2H2,1H3 |
| InChIKey | VPBLQYVWQDBKGJ-UHFFFAOYSA-N |
| Molecular Weight | 197.621 g/mol |
| SMILES | C1(=CC(=C(C=C1OC)Cl)CC#N)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88131 |