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thiourea, N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-N'-[3-(methylthio)phenyl]-
SpectraBase Compound ID LC20tq5dCo7
InChI InChI=1S/C21H27FN4S2/c1-28-20-5-2-4-18(16-20)24-21(27)23-10-3-11-25-12-14-26(15-13-25)19-8-6-17(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H2,23,24,27)
InChIKey MDCBIIQQZWBRAU-UHFFFAOYSA-N
Mol Weight 418.59 g/mol
Molecular Formula C21H27FN4S2
Exact Mass 418.166117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8NnDdoXhCzO
Name thiourea, N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-N'-[3-(methylthio)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 418.166117396 u
Formula C21H27FN4S2
InChI InChI=1S/C21H27FN4S2/c1-28-20-5-2-4-18(16-20)24-21(27)23-10-3-11-25-12-14-26(15-13-25)19-8-6-17(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H2,23,24,27)
InChIKey MDCBIIQQZWBRAU-UHFFFAOYSA-N
Molecular Weight 418.593 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_539
Solvent DMSO-d6
Source Vendor ID: NMR/13239034