| SpectraBase Compound ID | DNHeK7jcmqj |
|---|---|
| InChI | InChI=1S/C9H10INO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | XVHZWFGVEAFHRJ-UHFFFAOYSA-N |
| Mol Weight | 275.09 g/mol |
| Molecular Formula | C9H10INO |
| Exact Mass | 274.980709 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G3wvgGca9Kh |
|---|---|
| Name | Toluene, 4-acetylamino-3-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.980708945 u |
| Formula | C9H10INO |
| InChI | InChI=1S/C9H10INO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | XVHZWFGVEAFHRJ-UHFFFAOYSA-N |
| Molecular Weight | 275.089 g/mol |
| SMILES | C1=C(C(=CC(=C1)C)I)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93732 |