| SpectraBase Compound ID | 1YQixgu8liR |
|---|---|
| InChI | InChI=1S/C14H12I2O/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8H,9-10H2 |
| InChIKey | IIDJCTYBVLQTNZ-UHFFFAOYSA-N |
| Mol Weight | 450.06 g/mol |
| Molecular Formula | C14H12I2O |
| Exact Mass | 449.897755 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ISS7tWosJxb |
|---|---|
| Name | bis-(3-Iodobenzyl)ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.897755005 u |
| Formula | C14H12I2O |
| InChI | InChI=1S/C14H12I2O/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8H,9-10H2 |
| InChIKey | IIDJCTYBVLQTNZ-UHFFFAOYSA-N |
| Molecular Weight | 450.058 g/mol |
| SMILES | C1(=CC(=CC=C1)I)COCC=1C=C(C=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899071 |