| SpectraBase Compound ID | JoqgYJsCd1L |
|---|---|
| InChI | InChI=1S/C9H10I2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3 |
| InChIKey | NCGWISAIRFBYPY-UHFFFAOYSA-N |
| Mol Weight | 403.99 g/mol |
| Molecular Formula | C9H10I2O2 |
| Exact Mass | 403.87702 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cip6zlywqym |
|---|---|
| Name | .alpha.-(Diiodomethyl)-4-methoxybenzenemethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.877019560 u |
| Formula | C9H10I2O2 |
| InChI | InChI=1S/C9H10I2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3 |
| InChIKey | NCGWISAIRFBYPY-UHFFFAOYSA-N |
| Molecular Weight | 403.986 g/mol |
| SMILES | C(C(I)I)(C=1C=CC(=CC1)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916344 |