| SpectraBase Compound ID | CEeMaevsg4J |
|---|---|
| InChI | InChI=1S/C9H10ClIO2/c1-13-9-3-8(11)7(5-12)2-6(9)4-10/h2-3,12H,4-5H2,1H3 |
| InChIKey | UQJMGPDPFZWHOG-UHFFFAOYSA-N |
| Mol Weight | 312.53 g/mol |
| Molecular Formula | C9H10ClIO2 |
| Exact Mass | 311.941402 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BqldSM4HguD |
|---|---|
| Name | 2-Chloromethyl-4-hydroxymethyl-5-iodoanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.941402260 u |
| Formula | C9H10ClIO2 |
| InChI | InChI=1S/C9H10ClIO2/c1-13-9-3-8(11)7(5-12)2-6(9)4-10/h2-3,12H,4-5H2,1H3 |
| InChIKey | UQJMGPDPFZWHOG-UHFFFAOYSA-N |
| Molecular Weight | 312.534 g/mol |
| SMILES | C=1C(=C(CO)C=C(C1OC)CCl)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890664 |