| SpectraBase Compound ID | LnFKgeXHylz |
|---|---|
| InChI | InChI=1S/C16H33N/c1-4-6-8-9-10-12-16-14-13-15(17(16)3)11-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1 |
| InChIKey | ZERUIOSVZDUGGN-HOTGVXAUSA-N |
| Mol Weight | 239.4 g/mol |
| Molecular Formula | C16H33N |
| Exact Mass | 239.2613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1wpNsypi5r |
|---|---|
| Name | (2S,5S)-2-Butyl-5-heptyl-1-methylpyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.261300067 u |
| Formula | C16H33N |
| InChI | InChI=1S/C16H33N/c1-4-6-8-9-10-12-16-14-13-15(17(16)3)11-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1 |
| InChIKey | ZERUIOSVZDUGGN-HOTGVXAUSA-N |
| Molecular Weight | 239.447 g/mol |
| SMILES | [C@@]1(N([C@](CC1)(CCCCCCC)[H])C)(CCCC)[H] |