SpectraBase Compound ID | GsWfOZVyUg1 |
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InChI | InChI=1S/C22H19ClF3N3O3S/c23-18-9-8-16(12-17(18)22(24,25)26)28-21(30)15-6-3-11-29(13-15)33(31,32)19-7-1-4-14-5-2-10-27-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,28,30) |
InChIKey | CTYZSFKRSOPINR-UHFFFAOYSA-N |
Mol Weight | 497.92 g/mol |
Molecular Formula | C22H19ClF3N3O3S |
Exact Mass | 497.078775 g/mol |
SpectraBase Spectrum ID | GvXz1AgU0rY |
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Name | 3-piperidinecarboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-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 | 497.078774844 u |
Formula | C22H19ClF3N3O3S |
InChI | InChI=1S/C22H19ClF3N3O3S/c23-18-9-8-16(12-17(18)22(24,25)26)28-21(30)15-6-3-11-29(13-15)33(31,32)19-7-1-4-14-5-2-10-27-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,28,30) |
InChIKey | CTYZSFKRSOPINR-UHFFFAOYSA-N |
Molecular Weight | 497.920 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_3234 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13278429 |