| SpectraBase Compound ID | 1rSxAZpphMt |
|---|---|
| InChI | InChI=1S/C20H32N2OS/c1-3-4-5-7-14-20(24-19-12-8-6-9-13-19)16-21-22-15-10-11-18(22)17-23-2/h6,8-9,12-13,16,18,20H,3-5,7,10-11,14-15,17H2,1-2H3/b21-16+/t18-,20-/m0/s1 |
| InChIKey | PSWYDYLSSHZBGN-JXDYRPHQSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C20H32N2OS |
| Exact Mass | 348.223535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 20jwxEHkOre |
|---|---|
| Name | (S,S)-(-)-2-methoxymethyl-1-(2-phenylthio-1-octylidenamino)pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.223534831 u |
| Formula | C20H32N2OS |
| InChI | InChI=1S/C20H32N2OS/c1-3-4-5-7-14-20(24-19-12-8-6-9-13-19)16-21-22-15-10-11-18(22)17-23-2/h6,8-9,12-13,16,18,20H,3-5,7,10-11,14-15,17H2,1-2H3/b21-16+/t18-,20-/m0/s1 |
| InChIKey | PSWYDYLSSHZBGN-JXDYRPHQSA-N |
| Molecular Weight | 348.549 g/mol |
| SMILES | [C@@](\C=N\N1[C@](COC)(CCC1)[H])(SC=1C=CC=CC1)(CCCCCC)[H] |