| SpectraBase Compound ID | A9Iuhbnuf9A |
|---|---|
| InChI | InChI=1S/C16H16BrN3O3S/c17-12-8-9-15(18-11-12)19-16(21)14-7-4-10-20(14)24(22,23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,18,19,21) |
| InChIKey | FCJPENHGBFGEKU-UHFFFAOYSA-N |
| Mol Weight | 410.29 g/mol |
| Molecular Formula | C16H16BrN3O3S |
| Exact Mass | 409.009576 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | LBxTStwT8F |
|---|---|
| Name | 2-pyrrolidinecarboxamide, N-(5-bromo-2-pyridinyl)-1-(phenylsulfonyl)- |
| Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.009575558 u |
| Formula | C16H16BrN3O3S |
| InChI | InChI=1S/C16H16BrN3O3S/c17-12-8-9-15(18-11-12)19-16(21)14-7-4-10-20(14)24(22,23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,18,19,21) |
| InChIKey | FCJPENHGBFGEKU-UHFFFAOYSA-N |
| Molecular Weight | 410.286 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_17604 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10300506; Lab Info: LP; Lab Number: LP-225907 |