| SpectraBase Compound ID | Hy6UOi7OCPa |
|---|---|
| InChI | InChI=1S/C7H7IS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | YCGZIDJUDNEVQI-UHFFFAOYSA-N |
| Mol Weight | 250.1 g/mol |
| Molecular Formula | C7H7IS |
| Exact Mass | 249.931316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DaLhmtzMYs |
|---|---|
| Name | 1-Iodo-3-(methylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.931316399 u |
| Formula | C7H7IS |
| InChI | InChI=1S/C7H7IS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | YCGZIDJUDNEVQI-UHFFFAOYSA-N |
| Molecular Weight | 250.097 g/mol |
| SMILES | C1=C(SC)C=CC=C1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808122 |