| SpectraBase Compound ID | gXESGahiGr |
|---|---|
| InChI | InChI=1S/C12H7IS/c13-12-9-8-11(14-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H |
| InChIKey | PRYCCFSQPPNNNM-UHFFFAOYSA-N |
| Mol Weight | 310.15 g/mol |
| Molecular Formula | C12H7IS |
| Exact Mass | 309.931316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CbFkcWRfGIO |
|---|---|
| Name | 2-Iodo-5-(phenylethynyl)thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.931316399 u |
| Formula | C12H7IS |
| InChI | InChI=1S/C12H7IS/c13-12-9-8-11(14-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H |
| InChIKey | PRYCCFSQPPNNNM-UHFFFAOYSA-N |
| Molecular Weight | 310.152 g/mol |
| SMILES | C1(=CC=C(S1)C#CC=1C=CC=CC1)I |