| SpectraBase Compound ID | AJ4GBhdFTXy |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-8(2)7-13-11-6-9(3)4-5-10(11)12/h4-6,8H,7H2,1-3H3 |
| InChIKey | CZFQZCQTNMFWPT-UHFFFAOYSA-N |
| Mol Weight | 198.69 g/mol |
| Molecular Formula | C11H15ClO |
| Exact Mass | 198.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IhuIwwJQ6XV |
|---|---|
| Name | 2-Chloro-5-methylphenol, 2-methylpropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.081142802 u |
| Formula | C11H15ClO |
| InChI | InChI=1S/C11H15ClO/c1-8(2)7-13-11-6-9(3)4-5-10(11)12/h4-6,8H,7H2,1-3H3 |
| InChIKey | CZFQZCQTNMFWPT-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1(=CC=C(C=C1OCC(C)C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966971 |