| SpectraBase Compound ID | ClPUF6ltDL8 |
|---|---|
| InChI | InChI=1S/C8H8INO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11) |
| InChIKey | MCWQNRJDIFEOIK-UHFFFAOYSA-N |
| Mol Weight | 261.06 g/mol |
| Molecular Formula | C8H8INO |
| Exact Mass | 260.965059 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6mICh1eOq19 |
|---|---|
| Name | 4-Iodanyl-N-methyl-benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.965058881 u |
| Formula | C8H8INO |
| InChI | InChI=1S/C8H8INO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11) |
| InChIKey | MCWQNRJDIFEOIK-UHFFFAOYSA-N |
| Molecular Weight | 261.062 g/mol |
| SMILES | C(C=1C=CC(=CC1)I)(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912194 |