| SpectraBase Compound ID | 4PVi48a99ZQ |
|---|---|
| InChI | InChI=1S/C10H8BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,1H3,(H,12,13) |
| InChIKey | GFPYZTXFRSXISV-UHFFFAOYSA-N |
| Mol Weight | 238.08 g/mol |
| Molecular Formula | C10H8BrNO |
| Exact Mass | 236.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1lFFquHHfHe |
|---|---|
| Name | N-(2-Bromophenyl)but-2-ynamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.978926881 u |
| Formula | C10H8BrNO |
| InChI | InChI=1S/C10H8BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,1H3,(H,12,13) |
| InChIKey | GFPYZTXFRSXISV-UHFFFAOYSA-N |
| Molecular Weight | 238.084 g/mol |
| SMILES | C(=O)(NC=1C=CC=CC1Br)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948179 |