| SpectraBase Compound ID | Al6PTkLa28i |
|---|---|
| InChI | InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/b7-6+,11-10+ |
| InChIKey | DZSIDRFTDRDPCT-MVQNEBOGSA-N |
| Mol Weight | 223.36 g/mol |
| Molecular Formula | C14H25NO |
| Exact Mass | 223.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIxCY2DjyOc |
|---|---|
| Name | Pellitorine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.193614428 u |
| Formula | C14H25NO |
| InChI | InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/b7-6+,11-10+ |
| InChIKey | DZSIDRFTDRDPCT-MVQNEBOGSA-N |
| Molecular Weight | 223.360 g/mol |
| SMILES | C(\C=C\CC\C=C\CCC)(=O)NCC(C)C |