| SpectraBase Compound ID | BSejtVpfH94 |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | KESDBEGYAQDHHZ-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 | f4RhaasQZz |
|---|---|
| Name | 3-Chlorophenol, N-pentyl 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/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | KESDBEGYAQDHHZ-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1=C(C=CC=C1OCCCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853107 |