SpectraBase Compound ID | 9AQ1wBL32ZF |
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InChI | InChI=1S/C16H16BrFN2O3S2/c17-14-6-7-15(24-14)25(22,23)20-8-2-3-11(10-20)16(21)19-13-5-1-4-12(18)9-13/h1,4-7,9,11H,2-3,8,10H2,(H,19,21) |
InChIKey | KJIMBULJZUJOJV-UHFFFAOYSA-N |
Mol Weight | 447.34 g/mol |
Molecular Formula | C16H16BrFN2O3S2 |
Exact Mass | 445.976976 g/mol |
SpectraBase Spectrum ID | GoRcxbh48MQ |
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Name | 1-[(5-bromo-2-thienyl)sulfonyl]-N-(3-fluorophenyl)-3-piperidinecarboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 445.976975891 u |
Formula | C16H16BrFN2O3S2 |
InChI | InChI=1S/C16H16BrFN2O3S2/c17-14-6-7-15(24-14)25(22,23)20-8-2-3-11(10-20)16(21)19-13-5-1-4-12(18)9-13/h1,4-7,9,11H,2-3,8,10H2,(H,19,21) |
InChIKey | KJIMBULJZUJOJV-UHFFFAOYSA-N |
Molecular Weight | 447.337 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_3032 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288316 |