| SpectraBase Compound ID | C9ndQQNg9WO |
|---|---|
| InChI | InChI=1S/C10H12ClI/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | YVYCLCZMOXTHDR-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 | 426T9VuNkno |
|---|---|
| Name | 1-Chloro-2-iodo-4-phenylbutane |
| 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/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | YVYCLCZMOXTHDR-UHFFFAOYSA-N |
| Molecular Weight | 294.563 g/mol |
| SMILES | C(C(CCC=1C=CC=CC1)I)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984388 |