| SpectraBase Compound ID | 9j7zebIPejX |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3 |
| InChIKey | FSFHTFMTXYTRHZ-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 | 3D7wqSEF1V1 |
|---|---|
| Name | 3-Chlorophenol, 3-methylbutyl 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/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3 |
| InChIKey | FSFHTFMTXYTRHZ-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1=C(C=CC=C1OCCC(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922501 |