![3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(2-methoxyphenyl)-](/api/spectrum/3g1oe3oHAMP/structure.png?h=300&w=458 "3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(2-methoxyphenyl)-")
| SpectraBase Compound ID | AlIjpaYMwur |
|---|---|
| InChI | InChI=1S/C21H28N4O5S/c1-15-20(19(30-23-15)11-13-24(2)3)31(27,28)25-12-7-8-16(14-25)21(26)22-17-9-5-6-10-18(17)29-4/h5-6,9-11,13,16H,7-8,12,14H2,1-4H3,(H,22,26)/b13-11+ |
| InChIKey | ATYXYJPBRLRACX-ACCUITESSA-N |
| Mol Weight | 448.54 g/mol |
| Molecular Formula | C21H28N4O5S |
| Exact Mass | 448.178041 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3g1oe3oHAMP |
|---|---|
| Name | 3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(2-methoxyphenyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.178041187 u |
| Formula | C21H28N4O5S |
| InChI | InChI=1S/C21H28N4O5S/c1-15-20(19(30-23-15)11-13-24(2)3)31(27,28)25-12-7-8-16(14-25)21(26)22-17-9-5-6-10-18(17)29-4/h5-6,9-11,13,16H,7-8,12,14H2,1-4H3,(H,22,26)/b13-11+ |
| InChIKey | ATYXYJPBRLRACX-ACCUITESSA-N |
| Molecular Weight | 448.538 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_4690 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288339 |