| SpectraBase Compound ID | IkU5vSQlmPU |
|---|---|
| InChI | InChI=1S/C16H23NO/c1-2-9-15(17-12-7-4-8-13-17)16(18)14-10-5-3-6-11-14/h3,5-6,10-11,15H,2,4,7-9,12-13H2,1H3 |
| InChIKey | HAKYNKHTDUXTRZ-UHFFFAOYSA-N |
| Mol Weight | 245.37 g/mol |
| Molecular Formula | C16H23NO |
| Exact Mass | 245.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ul0EHq7552 |
|---|---|
| Name | 2-Piperidinovalerophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.177964364 u |
| Formula | C16H23NO |
| InChI | InChI=1S/C16H23NO/c1-2-9-15(17-12-7-4-8-13-17)16(18)14-10-5-3-6-11-14/h3,5-6,10-11,15H,2,4,7-9,12-13H2,1H3 |
| InChIKey | HAKYNKHTDUXTRZ-UHFFFAOYSA-N |
| Molecular Weight | 245.366 g/mol |
| SMILES | C(C(C1=CC=CC=C1)=O)(N1CCCCC1)CCC |