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1-(3-Fluoro-4-(4-[(4-methylphenyl)sulfonyl]-1-piperazinyl)phenyl)-1-butanone
SpectraBase Compound ID 7GjkEZ1i2c5
InChI InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKey FKHYKZVXCQQVNC-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C21H25FN2O3S
Exact Mass 404.156992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJXcOZoPOH5
Name 1-butanone, 1-[3-fluoro-4-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.156992007 u
Formula C21H25FN2O3S
InChI InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKey FKHYKZVXCQQVNC-UHFFFAOYSA-N
Molecular Weight 404.500 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11432
Solvent DMSO-d6
Source Vendor ID: NMR/10261184; Lab Info: LIP; Lab Number: 31