| SpectraBase Compound ID | 6gIMvbkZJmC |
|---|---|
| InChI | InChI=1S/C13H11ClO/c14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-7,9,15H,8H2 |
| InChIKey | ABEFDUNAMJQBHW-UHFFFAOYSA-N |
| Mol Weight | 218.68 g/mol |
| Molecular Formula | C13H11ClO |
| Exact Mass | 218.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ksjHdliod1 |
|---|---|
| Name | 3-(2-Chlorobenzyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.049842673 u |
| Formula | C13H11ClO |
| InChI | InChI=1S/C13H11ClO/c14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-7,9,15H,8H2 |
| InChIKey | ABEFDUNAMJQBHW-UHFFFAOYSA-N |
| Molecular Weight | 218.683 g/mol |
| SMILES | C=1(CC2=CC(O)=CC=C2)C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862837 |