![1-Pentene, 1-iodo-3-methyl-, [S-(E)]-](/api/spectrum/CvuiBn9mtVn/structure.png?h=300&w=458 "1-Pentene, 1-iodo-3-methyl-, [S-(E)]-")
| SpectraBase Compound ID | EjPYsDTOzHQ |
|---|---|
| InChI | InChI=1S/C6H11I/c1-3-6(2)4-5-7/h4-6H,3H2,1-2H3/b5-4- |
| InChIKey | CXOZSVBHFHWMJU-PLNGDYQASA-N |
| Mol Weight | 210.06 g/mol |
| Molecular Formula | C6H11I |
| Exact Mass | 209.990545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CvuiBn9mtVn |
|---|---|
| Name | 1-Pentene, 1-iodo-3-methyl-, [S-(E)]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.990545354 u |
| Formula | C6H11I |
| InChI | InChI=1S/C6H11I/c1-3-6(2)4-5-7/h4-6H,3H2,1-2H3/b5-4- |
| InChIKey | CXOZSVBHFHWMJU-PLNGDYQASA-N |
| Molecular Weight | 210.058 g/mol |
| SMILES | C(\C=C/I)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933844 |