| SpectraBase Compound ID | GY3Ia49MSPg |
|---|---|
| InChI | InChI=1S/C8H8BrCl/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2 |
| InChIKey | WVSGSDFVMHIAPM-UHFFFAOYSA-N |
| Mol Weight | 219.51 g/mol |
| Molecular Formula | C8H8BrCl |
| Exact Mass | 217.949791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ay4MVKt4Ngb |
|---|---|
| Name | 1-(Bromomethyl)-2-(chloromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.949790958 u |
| Formula | C8H8BrCl |
| InChI | InChI=1S/C8H8BrCl/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2 |
| InChIKey | WVSGSDFVMHIAPM-UHFFFAOYSA-N |
| Molecular Weight | 219.509 g/mol |
| SMILES | C1=CC(=C(C=C1)CBr)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962149 |