![3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3-ethylphenyl)-](/api/spectrum/HKGtKNyIsEF/structure.png?h=300&w=458 "3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3-ethylphenyl)-")
| SpectraBase Compound ID | KQ2phaLTzNV |
|---|---|
| InChI | InChI=1S/C22H30N4O4S/c1-5-17-8-6-10-19(14-17)23-22(27)18-9-7-12-26(15-18)31(28,29)21-16(2)24-30-20(21)11-13-25(3)4/h6,8,10-11,13-14,18H,5,7,9,12,15H2,1-4H3,(H,23,27)/b13-11+ |
| InChIKey | MTGHEECLSJPYEC-ACCUITESSA-N |
| Mol Weight | 446.57 g/mol |
| Molecular Formula | C22H30N4O4S |
| Exact Mass | 446.198777 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HKGtKNyIsEF |
|---|---|
| Name | 3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3-ethylphenyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.198776632 u |
| Formula | C22H30N4O4S |
| InChI | InChI=1S/C22H30N4O4S/c1-5-17-8-6-10-19(14-17)23-22(27)18-9-7-12-26(15-18)31(28,29)21-16(2)24-30-20(21)11-13-25(3)4/h6,8,10-11,13-14,18H,5,7,9,12,15H2,1-4H3,(H,23,27)/b13-11+ |
| InChIKey | MTGHEECLSJPYEC-ACCUITESSA-N |
| Molecular Weight | 446.566 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_4689 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288338 |