![5-[4-[[1-(Quinolin-2-yl)-(2S)-pyrrolildin-2-yl]methoxy]phenylmethylene]thiazolidine-2,4-dione](/api/spectrum/3yaF33vnA8c/structure.png?h=300&w=458 "5-[4-[[1-(Quinolin-2-yl)-(2S)-pyrrolildin-2-yl]methoxy]phenylmethylene]thiazolidine-2,4-dione")
| SpectraBase Compound ID | FzHvbOG4b7g |
|---|---|
| InChI | InChI=1S/C24H21N3O3S/c28-23-21(31-24(29)26-23)14-16-7-10-19(11-8-16)30-15-18-5-3-13-27(18)22-12-9-17-4-1-2-6-20(17)25-22/h1-2,4,6-12,14,18H,3,5,13,15H2,(H,26,28,29)/b21-14-/t18-/m0/s1 |
| InChIKey | JIBLNZSJYOASMR-SBGXLDQMSA-N |
| Mol Weight | 431.51 g/mol |
| Molecular Formula | C24H21N3O3S |
| Exact Mass | 431.130363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3yaF33vnA8c |
|---|---|
| Name | 5-[4-[[1-(Quinolin-2-yl)-(2S)-pyrrolildin-2-yl]methoxy]phenylmethylene]thiazolidine-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.130362719 u |
| Formula | C24H21N3O3S |
| InChI | InChI=1S/C24H21N3O3S/c28-23-21(31-24(29)26-23)14-16-7-10-19(11-8-16)30-15-18-5-3-13-27(18)22-12-9-17-4-1-2-6-20(17)25-22/h1-2,4,6-12,14,18H,3,5,13,15H2,(H,26,28,29)/b21-14-/t18-/m0/s1 |
| InChIKey | JIBLNZSJYOASMR-SBGXLDQMSA-N |
| Molecular Weight | 431.510 g/mol |
| SMILES | C1(NC(\C(S1)=C\C1=CC=C(OC[C@]2(N(C3=NC4=CC=CC=C4C=C3)CCC2)[H])C=C1)=O)=O |