| SpectraBase Compound ID | KX1HhTeY4xW |
|---|---|
| InChI | InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3/t13-,14-,15-,16?/m0/s1 |
| InChIKey | HXFURELRXGRSMC-HEHBBPHXSA-N |
| Mol Weight | 250.43 g/mol |
| Molecular Formula | C16H30N2 |
| Exact Mass | 250.240899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79PhtgxdUJI |
|---|---|
| Name | (+)-cermizine D tfa salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.240898974 u |
| Formula | C16H30N2 |
| InChI | InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3/t13-,14-,15-,16?/m0/s1 |
| InChIKey | HXFURELRXGRSMC-HEHBBPHXSA-N |
| Molecular Weight | 250.430 g/mol |
| SMILES | C1(N2[C@](C[C@@](C1)(C)[H])(CCCC2)[H])C[C@]1(NCCCC1)[H] |