| SpectraBase Compound ID | 8fYjeJib4Ft |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-3-4-7-13-11-8-9(2)5-6-10(11)12/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | RFBYECUJFRRYIA-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 | A01nE3X6t92 |
|---|---|
| Name | 2-Chloro-5-methylphenol, N-butyl 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/c1-3-4-7-13-11-8-9(2)5-6-10(11)12/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | RFBYECUJFRRYIA-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1(=CC=C(C=C1OCCCC)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925961 |