| SpectraBase Compound ID | EERKSKciAcg |
|---|---|
| InChI | InChI=1S/C10H9I/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4,8H2 |
| InChIKey | QSSDEQRYYTZECJ-UHFFFAOYSA-N |
| Mol Weight | 256.09 g/mol |
| Molecular Formula | C10H9I |
| Exact Mass | 255.974895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTXBEf3iK0H |
|---|---|
| Name | 1-(4-Iodobut-3-ynyl)benzene) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.974895290 u |
| Formula | C10H9I |
| InChI | InChI=1S/C10H9I/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4,8H2 |
| InChIKey | QSSDEQRYYTZECJ-UHFFFAOYSA-N |
| Molecular Weight | 256.086 g/mol |
| SMILES | C=1C=C(CCC#CI)C=CC1 |