| SpectraBase Compound ID | CCXDN62hPEg |
|---|---|
| InChI | InChI=1S/C9H9Cl2IO/c1-13-9-3-8(12)6(4-10)2-7(9)5-11/h2-3H,4-5H2,1H3 |
| InChIKey | LNLIBTOWRWKNOD-UHFFFAOYSA-N |
| Mol Weight | 330.98 g/mol |
| Molecular Formula | C9H9Cl2IO |
| Exact Mass | 329.907515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ez8tpFishBE |
|---|---|
| Name | 2,4-bis(Chloromethyl)-5-iodoanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.907515309 u |
| Formula | C9H9Cl2IO |
| InChI | InChI=1S/C9H9Cl2IO/c1-13-9-3-8(12)6(4-10)2-7(9)5-11/h2-3H,4-5H2,1H3 |
| InChIKey | LNLIBTOWRWKNOD-UHFFFAOYSA-N |
| Molecular Weight | 330.980 g/mol |
| SMILES | COC=1C(=CC(=C(C1)I)CCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82296 |