| SpectraBase Compound ID | FjcwMLOUtYt |
|---|---|
| InChI | InChI=1S/C17H25NO/c1-4-7-16(18-10-5-6-11-18)17(19)15-9-8-13(2)14(3)12-15/h8-9,12,16H,4-7,10-11H2,1-3H3 |
| InChIKey | IKKXRCRMSQZNLG-UHFFFAOYSA-N |
| Mol Weight | 259.39 g/mol |
| Molecular Formula | C17H25NO |
| Exact Mass | 259.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABj4FzC68JA |
|---|---|
| Name | 3,4-Dimethyl-.alpha.-pvp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.193614428 u |
| Formula | C17H25NO |
| InChI | InChI=1S/C17H25NO/c1-4-7-16(18-10-5-6-11-18)17(19)15-9-8-13(2)14(3)12-15/h8-9,12,16H,4-7,10-11H2,1-3H3 |
| InChIKey | IKKXRCRMSQZNLG-UHFFFAOYSA-N |
| Molecular Weight | 259.393 g/mol |
| SMILES | C(C(CCC)N1CCCC1)(=O)C1=CC=C(C(=C1)C)C |