| SpectraBase Compound ID | 96LldqwogJx |
|---|---|
| InChI | InChI=1S/C13H9IS2/c14-13(15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H |
| InChIKey | OKWMHWHAERNCNE-UHFFFAOYSA-N |
| Mol Weight | 356.24 g/mol |
| Molecular Formula | C13H9IS2 |
| Exact Mass | 355.919038 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JYhe7l6nxKg |
|---|---|
| Name | 2-Biphenylyliododithioformate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.919037638 u |
| Formula | C13H9IS2 |
| InChI | InChI=1S/C13H9IS2/c14-13(15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H |
| InChIKey | OKWMHWHAERNCNE-UHFFFAOYSA-N |
| Molecular Weight | 356.239 g/mol |
| SMILES | C(SC=1C(C=2C=CC=CC2)=CC=CC1)(=S)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914351 |