| SpectraBase Compound ID | J7U5cdbfJaF |
|---|---|
| InChI | InChI=1S/C9H10I2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2 |
| InChIKey | QCJUAKOLXULAKV-UHFFFAOYSA-N |
| Mol Weight | 371.99 g/mol |
| Molecular Formula | C9H10I2 |
| Exact Mass | 371.88719 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HOSWmbN22Ju |
|---|---|
| Name | 1-Iodo-2-(3-iodopropyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.887190322 u |
| Formula | C9H10I2 |
| InChI | InChI=1S/C9H10I2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2 |
| InChIKey | QCJUAKOLXULAKV-UHFFFAOYSA-N |
| Molecular Weight | 371.988 g/mol |
| SMILES | C=1(C(CCCI)=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887787 |