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1-{1'-[3-(trifluoromethyl)benzenesulfonyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
SpectraBase Compound ID CfTg0VXmG4h
InChI InChI=1S/C18H24F3N3O3S/c19-18(20,21)14-5-4-6-15(13-14)28(26,27)24-11-7-17(8-12-24,16(22)25)23-9-2-1-3-10-23/h4-6,13H,1-3,7-12H2,(H2,22,25)
InChIKey BUJCLOCSORFGMS-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C18H24F3N3O3S
Exact Mass 419.149047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4msPggBVwi
Name 1-{1'-[3-(trifluoromethyl)benzenesulfonyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.149047305 u
Formula C18H24F3N3O3S
InChI InChI=1S/C18H24F3N3O3S/c19-18(20,21)14-5-4-6-15(13-14)28(26,27)24-11-7-17(8-12-24,16(22)25)23-9-2-1-3-10-23/h4-6,13H,1-3,7-12H2,(H2,22,25)
InChIKey BUJCLOCSORFGMS-UHFFFAOYSA-N
Molecular Weight 419.463 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8310
Solvent DMSO-d6
Source Vendor ID: NMR/13309224