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3-[(4-bromophenyl)sulfonyl]-N-{2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl}propanamide
SpectraBase Compound ID 1RbXyLDEv12
InChI InChI=1S/C21H25BrFN3O3S/c22-17-5-7-18(8-6-17)30(28,29)16-9-21(27)24-10-11-25-12-14-26(15-13-25)20-4-2-1-3-19(20)23/h1-8H,9-16H2,(H,24,27)
InChIKey XJFIDZYRAKXFRP-UHFFFAOYSA-N
Mol Weight 498.41 g/mol
Molecular Formula C21H25BrFN3O3S
Exact Mass 497.078404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESxILIDLXVv
Name 3-[(4-bromophenyl)sulfonyl]-N-{2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl}propanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.078404011 u
Formula C21H25BrFN3O3S
InChI InChI=1S/C21H25BrFN3O3S/c22-17-5-7-18(8-6-17)30(28,29)16-9-21(27)24-10-11-25-12-14-26(15-13-25)20-4-2-1-3-19(20)23/h1-8H,9-16H2,(H,24,27)
InChIKey XJFIDZYRAKXFRP-UHFFFAOYSA-N
Molecular Weight 498.411 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3111
Solvent DMSO-d6
Source Vendor ID: NMR/12288432