| SpectraBase Compound ID | 3aOBefttQaS |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h6-7,13H,3-5H2,1-2H3 |
| InChIKey | AZFRDNMOBIVWDY-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 | D7M5AObLbyW |
|---|---|
| Name | 4-(3-Chloropropyl)-2,6-dimethylphenol |
| 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/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h6-7,13H,3-5H2,1-2H3 |
| InChIKey | AZFRDNMOBIVWDY-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1=C(C(=C(C=C1CCCCl)C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955109 |