| SpectraBase Compound ID | 79PkkRyPEO4 |
|---|---|
| InChI | InChI=1S/C9H9BrCl2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | TYDOLOQMEXLVJR-UHFFFAOYSA-N |
| Mol Weight | 267.98 g/mol |
| Molecular Formula | C9H9BrCl2 |
| Exact Mass | 265.926469 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1gaa3RiU4mG |
|---|---|
| Name | 3-Bromo-1,2-dichloro-1-phenylpropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.926468690 u |
| Formula | C9H9BrCl2 |
| InChI | InChI=1S/C9H9BrCl2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | TYDOLOQMEXLVJR-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)C(C(CBr)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960126 |