![N-[(4-Bromophenyl)-3(E)-butenyl]acetamide](/api/spectrum/9xCIcipsvTS/structure.png?h=300&w=458 "N-[(4-Bromophenyl)-3(E)-butenyl]acetamide")
| SpectraBase Compound ID | G7NO7uYJWeA |
|---|---|
| InChI | InChI=1S/C12H14BrNO/c1-10(15)14-9-3-2-4-11-5-7-12(13)8-6-11/h2,4-8H,3,9H2,1H3,(H,14,15)/b4-2+ |
| InChIKey | UJXIQTRTVHGUOX-DUXPYHPUSA-N |
| Mol Weight | 268.15 g/mol |
| Molecular Formula | C12H14BrNO |
| Exact Mass | 267.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9xCIcipsvTS |
|---|---|
| Name | N-[(4-Bromophenyl)-3(E)-butenyl]acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.025877074 u |
| Formula | C12H14BrNO |
| InChI | InChI=1S/C12H14BrNO/c1-10(15)14-9-3-2-4-11-5-7-12(13)8-6-11/h2,4-8H,3,9H2,1H3,(H,14,15)/b4-2+ |
| InChIKey | UJXIQTRTVHGUOX-DUXPYHPUSA-N |
| SMILES | C(=O)(NCC\C=C\C1=CC=C(C=C1)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965254 |