| SpectraBase Compound ID | 3JfCj84up3M |
|---|---|
| InChI | InChI=1S/C16H22BrNO/c17-10-5-4-8-15-13-18(11-9-16(15)19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2 |
| InChIKey | HYOLNMBPKSXHPU-UHFFFAOYSA-N |
| Mol Weight | 324.26 g/mol |
| Molecular Formula | C16H22BrNO |
| Exact Mass | 323.088477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cq7gYwB9XU1 |
|---|---|
| Name | 4-Piperidinone, 3-(4-bromobutyl)-1-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.088477331 u |
| Formula | C16H22BrNO |
| InChI | InChI=1S/C16H22BrNO/c17-10-5-4-8-15-13-18(11-9-16(15)19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2 |
| InChIKey | HYOLNMBPKSXHPU-UHFFFAOYSA-N |
| Molecular Weight | 324.262 g/mol |
| SMILES | C1(C(CN(CC1)CC1=CC=CC=C1)CCCCBr)=O |