![(3S)-1-[(2R,6R)-6-propyl-2-piperidinyl]-3-heptanol](/api/spectrum/8p9g5QGKAlS/structure.png?h=300&w=458 "(3S)-1-[(2R,6R)-6-propyl-2-piperidinyl]-3-heptanol")
| SpectraBase Compound ID | 11UcGdvPSS3 |
|---|---|
| InChI | InChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1 |
| InChIKey | DOQUWFOOVMIENZ-KFWWJZLASA-N |
| Mol Weight | 241.42 g/mol |
| Molecular Formula | C15H31NO |
| Exact Mass | 241.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8p9g5QGKAlS |
|---|---|
| Name | (3S)-1-[(2R,6R)-6-Propyl-2-piperidinyl]-3-heptanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.240564621 u |
| Formula | C15H31NO |
| InChI | InChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1 |
| InChIKey | DOQUWFOOVMIENZ-KFWWJZLASA-N |
| Molecular Weight | 241.419 g/mol |
| SMILES | [C@@]1(N[C@@](CCC1)(CCC)[H])(CC[C@@](O)(CCCC)[H])[H] |