| SpectraBase Compound ID | 6CtvDmjvqu4 |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-2-3-4-5-9-8-10(12)6-7-11(9)13/h6-8,13H,2-5H2,1H3 |
| InChIKey | FJTSMZVGLUHJJK-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 | C5mYqcFZkuv |
|---|---|
| Name | 4-Chloro-2-pentylphenol |
| 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/c1-2-3-4-5-9-8-10(12)6-7-11(9)13/h6-8,13H,2-5H2,1H3 |
| InChIKey | FJTSMZVGLUHJJK-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C=1(C(=CC=C(C1)Cl)O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961755 |