| SpectraBase Compound ID | 9MNZYe116Ke |
|---|---|
| InChI | InChI=1S/C22H22BrN3O3S/c1-15-13-18(9-10-19(15)23)25-22(27)17-7-4-12-26(14-17)30(28,29)20-8-2-5-16-6-3-11-24-21(16)20/h2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H,25,27) |
| InChIKey | ZIBDLPJYGAOQRL-UHFFFAOYSA-N |
| Mol Weight | 488.4 g/mol |
| Molecular Formula | C22H22BrN3O3S |
| Exact Mass | 487.056526 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Ft9Nk7gJ14f |
|---|---|
| Name | 3-piperidinecarboxamide, N-(4-bromo-3-methylphenyl)-1-(8-quinolinylsulfonyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.056525751 u |
| Formula | C22H22BrN3O3S |
| InChI | InChI=1S/C22H22BrN3O3S/c1-15-13-18(9-10-19(15)23)25-22(27)17-7-4-12-26(14-17)30(28,29)20-8-2-5-16-6-3-11-24-21(16)20/h2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H,25,27) |
| InChIKey | ZIBDLPJYGAOQRL-UHFFFAOYSA-N |
| Molecular Weight | 488.400 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_3245 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13278443 |