| SpectraBase Compound ID | 5SlNSxsrVOz |
|---|---|
| InChI | InChI=1S/C14H9I/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | FVSNTYPAZLFBKH-UHFFFAOYSA-N |
| Mol Weight | 304.13 g/mol |
| Molecular Formula | C14H9I |
| Exact Mass | 303.974895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDurczuf810 |
|---|---|
| Name | 1-Iodanyl-4-(2-phenylethynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.974895290 u |
| Formula | C14H9I |
| InChI | InChI=1S/C14H9I/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | FVSNTYPAZLFBKH-UHFFFAOYSA-N |
| Molecular Weight | 304.130 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C1=CC=C(C=C1)I |