| SpectraBase Compound ID | GNFtEb0Btpj |
|---|---|
| InChI | InChI=1S/C10H8INO/c1-8-3-2-4-9(7-8)12-10(13)5-6-11/h2-4,7H,1H3,(H,12,13) |
| InChIKey | IYBLBPRSMHNHSN-UHFFFAOYSA-N |
| Mol Weight | 285.08 g/mol |
| Molecular Formula | C10H8INO |
| Exact Mass | 284.965059 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5roNChZtDY |
|---|---|
| Name | 3-Iodo-N-(3-tolyl)propiolamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.965058881 u |
| Formula | C10H8INO |
| InChI | InChI=1S/C10H8INO/c1-8-3-2-4-9(7-8)12-10(13)5-6-11/h2-4,7H,1H3,(H,12,13) |
| InChIKey | IYBLBPRSMHNHSN-UHFFFAOYSA-N |
| Molecular Weight | 285.084 g/mol |
| SMILES | C(#CI)C(NC=1C=C(C)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893513 |