| SpectraBase Compound ID | 8p3AV7L5O0X |
|---|---|
| InChI | InChI=1S/C7H12BrNO/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5H2,1H3 |
| InChIKey | IJQWPBRRNBHHRW-UHFFFAOYSA-N |
| Mol Weight | 206.08 g/mol |
| Molecular Formula | C7H12BrNO |
| Exact Mass | 205.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7PM67GXzJEb |
|---|---|
| Name | 4-Bromopiperidine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.010227009 u |
| Formula | C7H12BrNO |
| InChI | InChI=1S/C7H12BrNO/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5H2,1H3 |
| InChIKey | IJQWPBRRNBHHRW-UHFFFAOYSA-N |
| Molecular Weight | 206.083 g/mol |
| SMILES | C1(Br)CCN(CC1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971424 |