| SpectraBase Compound ID | 8dsi8TFnWmt |
|---|---|
| InChI | InChI=1S/C10H11ClO/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6,12H,1,5H2,2H3 |
| InChIKey | RWQHRLHUHRELDN-UHFFFAOYSA-N |
| Mol Weight | 182.65 g/mol |
| Molecular Formula | C10H11ClO |
| Exact Mass | 182.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2L3jSo69ua9 |
|---|---|
| Name | 4-Chloro-2-(2-methyl-2-propenyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.049842673 u |
| Formula | C10H11ClO |
| InChI | InChI=1S/C10H11ClO/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6,12H,1,5H2,2H3 |
| InChIKey | RWQHRLHUHRELDN-UHFFFAOYSA-N |
| Molecular Weight | 182.650 g/mol |
| SMILES | C=1(C(=CC(=CC1)Cl)CC(=C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832532 |