| SpectraBase Compound ID | EDgw58s5eCB |
|---|---|
| InChI | InChI=1S/C19H25N3O5S2/c1-14-18(17(27-21-14)8-7-16-6-4-12-28-16)29(24,25)22-10-3-5-15(13-22)19(23)20-9-11-26-2/h4,6-8,12,15H,3,5,9-11,13H2,1-2H3,(H,20,23)/b8-7+ |
| InChIKey | SUDAPSRQBUEEOH-BQYQJAHWSA-N |
| Mol Weight | 439.55 g/mol |
| Molecular Formula | C19H25N3O5S2 |
| Exact Mass | 439.123563 g/mol |
| SpectraBase Spectrum ID | AMi31A90WCs |
|---|---|
| Name | 3-piperidinecarboxamide, N-(2-methoxyethyl)-1-[[3-methyl-5-[(E)-2-(2-thienyl)ethenyl]-4-isoxazolyl]sulfonyl]- |
| Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.123563260 u |
| Formula | C19H25N3O5S2 |
| InChI | InChI=1S/C19H25N3O5S2/c1-14-18(17(27-21-14)8-7-16-6-4-12-28-16)29(24,25)22-10-3-5-15(13-22)19(23)20-9-11-26-2/h4,6-8,12,15H,3,5,9-11,13H2,1-2H3,(H,20,23)/b8-7+ |
| InChIKey | SUDAPSRQBUEEOH-BQYQJAHWSA-N |
| Molecular Weight | 439.545 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_4829 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288583 |