| SpectraBase Compound ID | IhiMsB6nqUi |
|---|---|
| InChI | InChI=1S/C13H19I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h4-7,10-13H2,1H3 |
| InChIKey | TUXIEXWLTGAEJS-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C13H19I |
| Exact Mass | 302.053146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LASvNuO1Rir |
|---|---|
| Name | 1-Iodo-5,11-tridecadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.053145612 u |
| Formula | C13H19I |
| InChI | InChI=1S/C13H19I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h4-7,10-13H2,1H3 |
| InChIKey | TUXIEXWLTGAEJS-UHFFFAOYSA-N |
| Molecular Weight | 302.199 g/mol |
| SMILES | C(#CCCCCC#CCCCCI)C |