| SpectraBase Compound ID | 4alCbJjubSR |
|---|---|
| InChI | InChI=1S/C9H10ClI/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | SJLZTILKKAQASV-UHFFFAOYSA-N |
| Mol Weight | 280.54 g/mol |
| Molecular Formula | C9H10ClI |
| Exact Mass | 279.951573 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9nHoGKEgXBh |
|---|---|
| Name | Benzene, (1-chloro-3-iodopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.951573022 u |
| Formula | C9H10ClI |
| InChI | InChI=1S/C9H10ClI/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | SJLZTILKKAQASV-UHFFFAOYSA-N |
| Molecular Weight | 280.536 g/mol |
| SMILES | C1=CC=CC(=C1)C(CCI)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989046 |