| SpectraBase Compound ID | GW0meM4iAYo |
|---|---|
| InChI | InChI=1S/C17H33N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m1/s1 |
| InChIKey | GVLDQCOKHBVFPA-BRWVUGGUSA-N |
| Mol Weight | 251.5 g/mol |
| Molecular Formula | C17H33N |
| Exact Mass | 251.2613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8q4q4dvS2En |
|---|---|
| Name | (3R,5R,7ar)-3-Butyl-5-hexylhexahydro-1H-pyrrolizine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.261300067 u |
| Formula | C17H33N |
| InChI | InChI=1S/C17H33N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m1/s1 |
| InChIKey | GVLDQCOKHBVFPA-BRWVUGGUSA-N |
| Molecular Weight | 251.458 g/mol |
| SMILES | C1[C@]2(N([C@@](CC2)(CCCCCC)[H])[C@@](C1)(CCCC)[H])[H] |