| SpectraBase Compound ID | GxQ683Ss6hf |
|---|---|
| InChI | InChI=1S/C12H13I/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,7,11H2 |
| InChIKey | WQHCLVHILIUEDL-UHFFFAOYSA-N |
| Mol Weight | 284.14 g/mol |
| Molecular Formula | C12H13I |
| Exact Mass | 284.006195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47sl1Dzolmt |
|---|---|
| Name | Benzene, (6-iodo-1-hexynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.006195419 u |
| Formula | C12H13I |
| InChI | InChI=1S/C12H13I/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,7,11H2 |
| InChIKey | WQHCLVHILIUEDL-UHFFFAOYSA-N |
| Molecular Weight | 284.140 g/mol |
| SMILES | C(#CCCCCI)C1=CC=CC=C1 |