| SpectraBase Compound ID | HmjBmQQZCKd |
|---|---|
| InChI | InChI=1S/C13H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3 |
| InChIKey | XGAMQNYEIPCUIZ-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C13H27I |
| Exact Mass | 310.115746 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ERbmFlsWHAa |
|---|---|
| Name | Tridecane, 1-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.115745869 u |
| Formula | C13H27I |
| InChI | InChI=1S/C13H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3 |
| InChIKey | XGAMQNYEIPCUIZ-UHFFFAOYSA-N |
| Molecular Weight | 310.263 g/mol |
| SMILES | CCCCCCCCCCCCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90387 |