| SpectraBase Compound ID | AW972sq7qGr |
|---|---|
| InChI | InChI=1S/C13H15I/c1-3-7-11(4-2)10-12-8-5-6-9-13(12)14/h3-6,8-9,11H,1-2,7,10H2 |
| InChIKey | SKJZFYMUQNCBFT-UHFFFAOYSA-N |
| Mol Weight | 298.17 g/mol |
| Molecular Formula | C13H15I |
| Exact Mass | 298.021845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 35HErFmFDKx |
|---|---|
| Name | 1-(2-Ethenylpent-4-enyl)-2-iodanyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.021845483 u |
| Formula | C13H15I |
| InChI | InChI=1S/C13H15I/c1-3-7-11(4-2)10-12-8-5-6-9-13(12)14/h3-6,8-9,11H,1-2,7,10H2 |
| InChIKey | SKJZFYMUQNCBFT-UHFFFAOYSA-N |
| Molecular Weight | 298.167 g/mol |
| SMILES | C=CC(CC=C)CC=1C(=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902792 |