| SpectraBase Compound ID | 5ptNGlmnXlv |
|---|---|
| InChI | InChI=1S/C23H33N3O4/c1-16(17-10-6-5-7-11-17)24-20(27)18-12-8-14-25(18)21(28)19-13-9-15-26(19)22(29)30-23(2,3)4/h5-7,10-11,16,18-19H,8-9,12-15H2,1-4H3,(H,24,27)/t16-,18-,19-/m0/s1 |
| InChIKey | JNQILZUPGLCNKL-WDSOQIARSA-N |
| Mol Weight | 415.5 g/mol |
| Molecular Formula | C23H33N3O4 |
| Exact Mass | 415.247107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zlx0Tfuz7e |
|---|---|
| Name | Tert-butyl (S)-2-((S)-2-(((S)-1-phenylethyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.247106551 u |
| Formula | C23H33N3O4 |
| InChI | InChI=1S/C23H33N3O4/c1-16(17-10-6-5-7-11-17)24-20(27)18-12-8-14-25(18)21(28)19-13-9-15-26(19)22(29)30-23(2,3)4/h5-7,10-11,16,18-19H,8-9,12-15H2,1-4H3,(H,24,27)/t16-,18-,19-/m0/s1 |
| InChIKey | JNQILZUPGLCNKL-WDSOQIARSA-N |
| Molecular Weight | 415.534 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)OC(C)(C)C)(C(=O)N1[C@@](CCC1)(C(N[C@@](C)(C1=CC=CC=C1)[H])=O)[H])[H] |