| SpectraBase Compound ID | JdBpevT1wXH |
|---|---|
| InChI | InChI=1S/C15H20N2O/c1-3-4-15(18)17-11(2)9-12-5-6-14-13(10-12)7-8-16-14/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,17,18) |
| InChIKey | SSGBPTPORZQNHH-UHFFFAOYSA-N |
| Mol Weight | 244.34 g/mol |
| Molecular Formula | C15H20N2O |
| Exact Mass | 244.157563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gnwq1WrIzSZ |
|---|---|
| Name | 5-Apin but |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.157563271 u |
| Formula | C15H20N2O |
| InChI | InChI=1S/C15H20N2O/c1-3-4-15(18)17-11(2)9-12-5-6-14-13(10-12)7-8-16-14/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,17,18) |
| InChIKey | SSGBPTPORZQNHH-UHFFFAOYSA-N |
| Molecular Weight | 244.338 g/mol |
| SMILES | C12=C(C=C(CC(NC(CCC)=O)C)C=C2)C=CN1 |