| SpectraBase Compound ID | FaVoBUEW2lW |
|---|---|
| InChI | InChI=1S/C17H31N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h3,15-17H,1,4-14H2,2H3 |
| InChIKey | AVCHFMDYFWBBRU-UHFFFAOYSA-N |
| Mol Weight | 249.44 g/mol |
| Molecular Formula | C17H31N |
| Exact Mass | 249.24565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Gpnnhxm4Xi |
|---|---|
| Name | 3-Butyl-5-(hex-5-en-1-yl)hexahydro-1H-pyrrolizine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.245650002 u |
| Formula | C17H31N |
| InChI | InChI=1S/C17H31N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h3,15-17H,1,4-14H2,2H3 |
| InChIKey | AVCHFMDYFWBBRU-UHFFFAOYSA-N |
| Molecular Weight | 249.442 g/mol |
| SMILES | C1C(N2C(CCC2C1)CCCC)CCCCC=C |