| SpectraBase Compound ID | 3x6fxu2dPWf |
|---|---|
| InChI | InChI=1S/C21H19BrFN3O3S/c22-16-8-9-18(17(23)12-16)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27) |
| InChIKey | XPRCQEASZPFPEU-UHFFFAOYSA-N |
| Mol Weight | 492.36 g/mol |
| Molecular Formula | C21H19BrFN3O3S |
| Exact Mass | 491.031454 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IGcwLBRhdrw |
|---|---|
| Name | 3-piperidinecarboxamide, N-(4-bromo-2-fluorophenyl)-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 | 491.031453818 u |
| Formula | C21H19BrFN3O3S |
| InChI | InChI=1S/C21H19BrFN3O3S/c22-16-8-9-18(17(23)12-16)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27) |
| InChIKey | XPRCQEASZPFPEU-UHFFFAOYSA-N |
| Molecular Weight | 492.363 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_3244 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13278442 |