| SpectraBase Compound ID | PeL14PcYrS |
|---|---|
| InChI | InChI=1S/C8H8BrClO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6H2 |
| InChIKey | YEYMDHVVRPPLSH-UHFFFAOYSA-N |
| Mol Weight | 235.51 g/mol |
| Molecular Formula | C8H8BrClO |
| Exact Mass | 233.944706 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HzSauB3MrUt |
|---|---|
| Name | 1-Bromanyl-2-(2-chloroethyloxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.944705577 u |
| Formula | C8H8BrClO |
| InChI | InChI=1S/C8H8BrClO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6H2 |
| InChIKey | YEYMDHVVRPPLSH-UHFFFAOYSA-N |
| Molecular Weight | 235.508 g/mol |
| SMILES | C=1(C(=CC=CC1)OCCCl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916985 |