![N-Benzyl-3-[1'-(2'-hydroxy-3'-methylbutyl)]pyrrolidine](/api/spectrum/13wsQHKmGfY/structure.png?h=300&w=458 "N-Benzyl-3-[1'-(2'-hydroxy-3'-methylbutyl)]pyrrolidine")
| SpectraBase Compound ID | Kt72tcES532 |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-13(2)16(18)10-15-8-9-17(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3 |
| InChIKey | QBUXPGZTKPGZGB-UHFFFAOYSA-N |
| Mol Weight | 247.38 g/mol |
| Molecular Formula | C16H25NO |
| Exact Mass | 247.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13wsQHKmGfY |
|---|---|
| Name | N-Benzyl-3-[1'-(2'-hydroxy-3'-methylbutyl)]pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.193614428 u |
| Formula | C16H25NO |
| InChI | InChI=1S/C16H25NO/c1-13(2)16(18)10-15-8-9-17(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3 |
| InChIKey | QBUXPGZTKPGZGB-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C1N(CCC1CC(C(C)C)O)CC=1C=CC=CC1 |