| SpectraBase Compound ID | 24XSeqYGvYN |
|---|---|
| InChI | InChI=1S/C10H12ClI/c1-10(11,7-8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | KRIUPYJTCCURBZ-UHFFFAOYSA-N |
| Mol Weight | 294.56 g/mol |
| Molecular Formula | C10H12ClI |
| Exact Mass | 293.967223 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9CjcajEx3Y5 |
|---|---|
| Name | Benzene, (1-chloro-3-iodo-1-methylpropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.967223086 u |
| Formula | C10H12ClI |
| InChI | InChI=1S/C10H12ClI/c1-10(11,7-8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | KRIUPYJTCCURBZ-UHFFFAOYSA-N |
| Molecular Weight | 294.563 g/mol |
| SMILES | C1=CC=C(C=C1)C(CCI)(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961047 |