| SpectraBase Compound ID | 54Ef0KDrGsW |
|---|---|
| InChI | InChI=1S/C13H19IO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | NOTUNHQYDCXAKJ-UHFFFAOYSA-N |
| Mol Weight | 318.2 g/mol |
| Molecular Formula | C13H19IO |
| Exact Mass | 318.04806 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fl8DWAJxWTE |
|---|---|
| Name | 6-Iodanylhexoxymethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.048060231 u |
| Formula | C13H19IO |
| InChI | InChI=1S/C13H19IO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | NOTUNHQYDCXAKJ-UHFFFAOYSA-N |
| Molecular Weight | 318.198 g/mol |
| SMILES | C(I)CCCCCOCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946109 |