| SpectraBase Compound ID | IQ5J7l6C1OA |
|---|---|
| InChI | InChI=1S/C6H9I/c1-6(2,3)4-5-7/h1-3H3 |
| InChIKey | ICXZUQNBHRVDHZ-UHFFFAOYSA-N |
| Mol Weight | 208.04 g/mol |
| Molecular Formula | C6H9I |
| Exact Mass | 207.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1RhNxlhHUS6 |
|---|---|
| Name | 1-Iodo-3,3-dimethyl-1-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.974895290 u |
| Formula | C6H9I |
| InChI | InChI=1S/C6H9I/c1-6(2,3)4-5-7/h1-3H3 |
| InChIKey | ICXZUQNBHRVDHZ-UHFFFAOYSA-N |
| Molecular Weight | 208.042 g/mol |
| SMILES | C(#CC(C)(C)C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960478 |