| SpectraBase Compound ID | CTHTXUPXJ2n |
|---|---|
| InChI | InChI=1S/C7H13I/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3 |
| InChIKey | WHEIXBCUTMNIFR-UHFFFAOYSA-N |
| Mol Weight | 224.09 g/mol |
| Molecular Formula | C7H13I |
| Exact Mass | 224.006195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITPxavj4YTl |
|---|---|
| Name | 5-Iodo-2,3-dimethyl-2-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.006195419 u |
| Formula | C7H13I |
| InChI | InChI=1S/C7H13I/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3 |
| InChIKey | WHEIXBCUTMNIFR-UHFFFAOYSA-N |
| Molecular Weight | 224.085 g/mol |
| SMILES | C(=C(CCI)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954907 |