| SpectraBase Compound ID | LS5ez9cBMLi |
|---|---|
| InChI | InChI=1S/C17H31NO3/c1-7-8-9-13-10-14(19)11-15(12(2)3)18(13)16(20)21-17(4,5)6/h12-13,15H,7-11H2,1-6H3/t13-,15+/m1/s1 |
| InChIKey | MJHOOHXNLXNOSP-HIFRSBDPSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C17H31NO3 |
| Exact Mass | 297.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JJDU8tGy7aT |
|---|---|
| Name | Trans-N-boc-2-(1-methylethyl)-6-butyl-4-piperidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.230393859 u |
| Formula | C17H31NO3 |
| InChI | InChI=1S/C17H31NO3/c1-7-8-9-13-10-14(19)11-15(12(2)3)18(13)16(20)21-17(4,5)6/h12-13,15H,7-11H2,1-6H3/t13-,15+/m1/s1 |
| InChIKey | MJHOOHXNLXNOSP-HIFRSBDPSA-N |
| SMILES | C1[C@@](C(C)C)(N([C@@](CC1=O)(CCCC)[H])C(=O)OC(C)(C)C)[H] |