| SpectraBase Compound ID | I6TQDFOFADT |
|---|---|
| InChI | InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3 |
| InChIKey | TUFUJLBGPHVUEW-UHFFFAOYSA-N |
| Mol Weight | 283.17 g/mol |
| Molecular Formula | C12H15BrN2O |
| Exact Mass | 282.036776 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8K1KbGnMRag |
|---|---|
| Name | 1-(2-Bromobenzoyl)-4-methylpiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.036776110 u |
| Formula | C12H15BrN2O |
| InChI | InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3 |
| InChIKey | TUFUJLBGPHVUEW-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C=CC=C1)C(=O)N1CCN(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810085 |