| SpectraBase Compound ID | CrzuW0BQ0Fa |
|---|---|
| InChI | InChI=1S/C9H9BrClI/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9H,5-6H2 |
| InChIKey | YQNXYNUWSNXTMX-UHFFFAOYSA-N |
| Mol Weight | 359.43 g/mol |
| Molecular Formula | C9H9BrClI |
| Exact Mass | 357.862086 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | jChZe5z0Bt |
|---|---|
| Name | Benzene, 1-bromo-4-(1-chloro-3-iodopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.862085990 u |
| Formula | C9H9BrClI |
| InChI | InChI=1S/C9H9BrClI/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9H,5-6H2 |
| InChIKey | YQNXYNUWSNXTMX-UHFFFAOYSA-N |
| Molecular Weight | 359.432 g/mol |
| SMILES | C1(=CC=C(C=C1)C(CCI)Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946664 |