| SpectraBase Compound ID | 7srsIbvsKCp |
|---|---|
| InChI | InChI=1S/C16H23NO2/c1-3-15(17-11-5-4-6-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3 |
| InChIKey | IGBQMRMVFKRXLC-UHFFFAOYSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C16H23NO2 |
| Exact Mass | 261.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaXQzadkVjW |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-(piperidin-1-yl)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.172878983 u |
| Formula | C16H23NO2 |
| InChI | InChI=1S/C16H23NO2/c1-3-15(17-11-5-4-6-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3 |
| InChIKey | IGBQMRMVFKRXLC-UHFFFAOYSA-N |
| Molecular Weight | 261.365 g/mol |
| SMILES | C1=C(OC)C=CC(=C1)C(C(N1CCCCC1)CC)=O |