SpectraBase Compound ID | KvIQoeLipli |
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InChI | InChI=1S/C18H18F3N3O3S/c19-18(20,21)14-3-1-4-15(11-14)23-17(25)13-6-9-24(10-7-13)28(26,27)16-5-2-8-22-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,23,25) |
InChIKey | FXCBOAHTVRCXHF-UHFFFAOYSA-N |
Mol Weight | 413.42 g/mol |
Molecular Formula | C18H18F3N3O3S |
Exact Mass | 413.102097 g/mol |
SpectraBase Spectrum ID | K0Av6Chrwx6 |
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Name | 1-(3-pyridinylsulfonyl)-N-[3-(trifluoromethyl)phenyl]-4-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 | 413.102097112 u |
Formula | C18H18F3N3O3S |
InChI | InChI=1S/C18H18F3N3O3S/c19-18(20,21)14-3-1-4-15(11-14)23-17(25)13-6-9-24(10-7-13)28(26,27)16-5-2-8-22-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,23,25) |
InChIKey | FXCBOAHTVRCXHF-UHFFFAOYSA-N |
Molecular Weight | 413.415 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_4521 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12309499 |