| SpectraBase Compound ID | 6RqZrss8Epp |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-6-4-3-5-8(10)9(6)12-7(2)11/h3-5H,1-2H3 |
| InChIKey | IRDNJGWKZWNWCV-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 | IYSn0hZUmUp |
|---|---|
| Name | Phenol, 2-chloro-6-methyl-, 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/c1-6-4-3-5-8(10)9(6)12-7(2)11/h3-5H,1-2H3 |
| InChIKey | IRDNJGWKZWNWCV-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C(OC1=C(C)C=CC=C1Cl)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86405 |