| SpectraBase Compound ID | MhF4R4WfDH |
|---|---|
| InChI | InChI=1S/C8H17I/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3 |
| InChIKey | DHRDZCFILBUNCW-UHFFFAOYSA-N |
| Mol Weight | 240.13 g/mol |
| Molecular Formula | C8H17I |
| Exact Mass | 240.037496 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5K91W4FEHLA |
|---|---|
| Name | 2-Iodo-6-methylheptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.037495547 u |
| Formula | C8H17I |
| InChI | InChI=1S/C8H17I/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3 |
| InChIKey | DHRDZCFILBUNCW-UHFFFAOYSA-N |
| Molecular Weight | 240.128 g/mol |
| SMILES | CC(CCCC(I)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936813 |