| SpectraBase Compound ID | K9qHViLHUBI |
|---|---|
| InChI | InChI=1S/C13H16BrNO/c1-10(16)15-7-5-11(6-8-15)12-3-2-4-13(14)9-12/h2-4,9,11H,5-8H2,1H3 |
| InChIKey | LLFCMOIQSBGZDD-UHFFFAOYSA-N |
| Mol Weight | 282.18 g/mol |
| Molecular Formula | C13H16BrNO |
| Exact Mass | 281.041527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 23666VT0IuE |
|---|---|
| Name | 4-(3-Bromophenyl)piperidine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.041527138 u |
| Formula | C13H16BrNO |
| InChI | InChI=1S/C13H16BrNO/c1-10(16)15-7-5-11(6-8-15)12-3-2-4-13(14)9-12/h2-4,9,11H,5-8H2,1H3 |
| InChIKey | LLFCMOIQSBGZDD-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(=CC=C1)C1CCN(CC1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839758 |