| SpectraBase Compound ID | B6glMI9EYbL |
|---|---|
| InChI | InChI=1S/C17H25NO/c1-3-4-8-17(19)18-13(2)11-14-9-10-15-6-5-7-16(15)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19) |
| InChIKey | KTJZDDGUPJHULV-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 | AfLmAXnyCMo |
|---|---|
| Name | 5-Apdi pent |
| 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/c1-3-4-8-17(19)18-13(2)11-14-9-10-15-6-5-7-16(15)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19) |
| InChIKey | KTJZDDGUPJHULV-UHFFFAOYSA-N |
| Molecular Weight | 259.393 g/mol |
| SMILES | C1=2C(=CC(CC(NC(CCCC)=O)C)=CC2)CCC1 |