| SpectraBase Compound ID | EsY9NJSZxXU |
|---|---|
| InChI | InChI=1S/C10H11IO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6H2,1H3 |
| InChIKey | VWDHWPFHNCTXBW-UHFFFAOYSA-N |
| Mol Weight | 290.1 g/mol |
| Molecular Formula | C10H11IO2 |
| Exact Mass | 289.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3yuFzyl9jaG |
|---|---|
| Name | 1-(3,4-Methylenedioxyphenyl)-2-iodopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.980374592 u |
| Formula | C10H11IO2 |
| InChI | InChI=1S/C10H11IO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6H2,1H3 |
| InChIKey | VWDHWPFHNCTXBW-UHFFFAOYSA-N |
| Molecular Weight | 290.100 g/mol |
| SMILES | C1=2C(=CC(=CC2)CC(I)C)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958032 |