| SpectraBase Compound ID | 4tYzqxtRmtn |
|---|---|
| InChI | InChI=1S/C22H25N3O3S/c26-20(23-15-16-7-2-1-3-8-16)17-9-4-12-24(17)21(27)18-10-5-13-25(18)22(28)19-11-6-14-29-19/h1-3,6-8,11,14,17-18H,4-5,9-10,12-13,15H2,(H,23,26)/t17-,18-/m0/s1 |
| InChIKey | QCTBMCHJYCJCJD-ROUUACIJSA-N |
| Mol Weight | 411.52 g/mol |
| Molecular Formula | C22H25N3O3S |
| Exact Mass | 411.161663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YR2qEsNgzB |
|---|---|
| Name | (S)-N-Benzyl-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 | 411.161662848 u |
| Formula | C22H25N3O3S |
| InChI | InChI=1S/C22H25N3O3S/c26-20(23-15-16-7-2-1-3-8-16)17-9-4-12-24(17)21(27)18-10-5-13-25(18)22(28)19-11-6-14-29-19/h1-3,6-8,11,14,17-18H,4-5,9-10,12-13,15H2,(H,23,26)/t17-,18-/m0/s1 |
| InChIKey | QCTBMCHJYCJCJD-ROUUACIJSA-N |
| Molecular Weight | 411.520 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)[H] |