| SpectraBase Compound ID | IhFGOCTiVv2 |
|---|---|
| InChI | InChI=1S/C13H10BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,5,9H2 |
| InChIKey | GLAXFYPNECUSBA-UHFFFAOYSA-N |
| Mol Weight | 292.13 g/mol |
| Molecular Formula | C13H10BrNO2 |
| Exact Mass | 290.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 70G569FoX6n |
|---|---|
| Name | N-(5-Bromopent-4-ynyl)-phthalimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.989491564 u |
| Formula | C13H10BrNO2 |
| InChI | InChI=1S/C13H10BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,5,9H2 |
| InChIKey | GLAXFYPNECUSBA-UHFFFAOYSA-N |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CCCC#CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947894 |