| SpectraBase Compound ID | C9aqYmzm8cL |
|---|---|
| InChI | InChI=1S/C23H27N3O4S/c1-30-17-7-2-6-16(14-17)15-24-21(27)18-8-3-11-25(18)22(28)19-9-4-12-26(19)23(29)20-10-5-13-31-20/h2,5-7,10,13-14,18-19H,3-4,8-9,11-12,15H2,1H3,(H,24,27)/t18-,19-/m0/s1 |
| InChIKey | NRXVBUVTEMPXOZ-OALUTQOASA-N |
| Mol Weight | 441.55 g/mol |
| Molecular Formula | C23H27N3O4S |
| Exact Mass | 441.172228 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 | 7KBaRLsTCQQ |
|---|---|
| Name | (S)-N-(3-Methoxybenzyl)-1-((thiophene-2-carbonyl)-L-prolyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.172227531 u |
| Formula | C23H27N3O4S |
| InChI | InChI=1S/C23H27N3O4S/c1-30-17-7-2-6-16(14-17)15-24-21(27)18-8-3-11-25(18)22(28)19-9-4-12-26(19)23(29)20-10-5-13-31-20/h2,5-7,10,13-14,18-19H,3-4,8-9,11-12,15H2,1H3,(H,24,27)/t18-,19-/m0/s1 |
| InChIKey | NRXVBUVTEMPXOZ-OALUTQOASA-N |
| Molecular Weight | 441.546 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(=O)C1=CC=CS1)[H])=O)(C(=O)NCC1=CC(=CC=C1)OC)[H] |