| SpectraBase Compound ID | 1B5pTh8BXPy |
|---|---|
| InChI | InChI=1S/C14H11I/c15-14-10-7-11(14)9-12(14)8(10)13(7,9)6-4-2-1-3-5-6/h1-5,7-12H |
| InChIKey | GJTUWJUJDGKSOH-UHFFFAOYSA-N |
| Mol Weight | 306.15 g/mol |
| Molecular Formula | C14H11I |
| Exact Mass | 305.990545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G2muEA5oxy5 |
|---|---|
| Name | 4-Phenylcubyl iodide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.990545354 u |
| Formula | C14H11I |
| InChI | InChI=1S/C14H11I/c15-14-10-7-11(14)9-12(14)8(10)13(7,9)6-4-2-1-3-5-6/h1-5,7-12H |
| InChIKey | GJTUWJUJDGKSOH-UHFFFAOYSA-N |
| Molecular Weight | 306.146 g/mol |
| SMILES | C12(C3C4C5(I)C(C24)C1C35)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876712 |