| SpectraBase Compound ID | LinES27fDei |
|---|---|
| InChI | InChI=1S/C13H11ClO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | IATNZRYVIRYKDJ-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 | GPQE3ic6twd |
|---|---|
| Name | Benzene, 1-(chloromethyl)-3-phenoxy- |
| 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/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | IATNZRYVIRYKDJ-UHFFFAOYSA-N |
| Molecular Weight | 218.683 g/mol |
| SMILES | C1(=CC=CC=C1)OC=1C=CC(=CC1)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844246 |