| SpectraBase Compound ID | D8PGsr1gozH |
|---|---|
| InChI | InChI=1S/C15H17NO2/c1-18-14-7-5-6-13(12-14)8-9-15(17)16-10-3-2-4-11-16/h5-7,12H,2-4,10-11H2,1H3 |
| InChIKey | JMBWYABMOMAMRC-UHFFFAOYSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C15H17NO2 |
| Exact Mass | 243.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75y9U5WykVB |
|---|---|
| Name | 3-(3-Methoxyphenyl)-1-(piperidin-1-yl)prop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.125928789 u |
| Formula | C15H17NO2 |
| InChI | InChI=1S/C15H17NO2/c1-18-14-7-5-6-13(12-14)8-9-15(17)16-10-3-2-4-11-16/h5-7,12H,2-4,10-11H2,1H3 |
| InChIKey | JMBWYABMOMAMRC-UHFFFAOYSA-N |
| Molecular Weight | 243.306 g/mol |
| SMILES | C=1C=CC(=CC1C#CC(N1CCCCC1)=O)OC |