SpectraBase Compound ID | 8fAwCg07Qbw |
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InChI | InChI=1S/C18H20ClF3N4O3S/c1-10-16(11(2)25-24-10)30(28,29)26-7-5-12(6-8-26)17(27)23-13-3-4-15(19)14(9-13)18(20,21)22/h3-4,9,12H,5-8H2,1-2H3,(H,23,27)(H,24,25) |
InChIKey | WHLXXQXMJNTZDS-UHFFFAOYSA-N |
Mol Weight | 464.89 g/mol |
Molecular Formula | C18H20ClF3N4O3S |
Exact Mass | 464.089674 g/mol |
SpectraBase Spectrum ID | CS2eOtSddKW |
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Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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 | 464.089673880 u |
Formula | C18H20ClF3N4O3S |
InChI | InChI=1S/C18H20ClF3N4O3S/c1-10-16(11(2)25-24-10)30(28,29)26-7-5-12(6-8-26)17(27)23-13-3-4-15(19)14(9-13)18(20,21)22/h3-4,9,12H,5-8H2,1-2H3,(H,23,27)(H,24,25) |
InChIKey | WHLXXQXMJNTZDS-UHFFFAOYSA-N |
Molecular Weight | 464.891 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_4574 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12309566 |