| SpectraBase Compound ID | CO30lSSFyN0 |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-6-3-4-9(8(10)5-6)12-7(2)11/h3-5H,1-2H3 |
| InChIKey | ZTWMYNWPLBFWIS-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7fWRcjbBiPn |
|---|---|
| Name | 2-Chloro-4-methylphenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c1-6-3-4-9(8(10)5-6)12-7(2)11/h3-5H,1-2H3 |
| InChIKey | ZTWMYNWPLBFWIS-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1(Cl)=C(OC(C)=O)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858617 |