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1-({1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl}carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID E4aXpXqitNM
InChI InChI=1S/C22H27F3N4O4S/c1-15-20(16(2)33-26-15)34(31,32)29-8-6-17(7-9-29)21(30)28-12-10-27(11-13-28)19-5-3-4-18(14-19)22(23,24)25/h3-5,14,17H,6-13H2,1-2H3
InChIKey RWDDWXBATZMCOT-UHFFFAOYSA-N
Mol Weight 500.54 g/mol
Molecular Formula C22H27F3N4O4S
Exact Mass 500.170511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QPyaGK2Hdk
Name 1-({1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl}carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.170511024 u
Formula C22H27F3N4O4S
InChI InChI=1S/C22H27F3N4O4S/c1-15-20(16(2)33-26-15)34(31,32)29-8-6-17(7-9-29)21(30)28-12-10-27(11-13-28)19-5-3-4-18(14-19)22(23,24)25/h3-5,14,17H,6-13H2,1-2H3
InChIKey RWDDWXBATZMCOT-UHFFFAOYSA-N
Molecular Weight 500.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4633
Solvent DMSO-d6
Source Vendor ID: NMR/12309666