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4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-oxo-1-(2-propenyl)-2-thioxo-

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4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-oxo-1-(2-propenyl)-2-thioxo-
SpectraBase Compound ID cw3iHTI7nL
InChI InChI=1S/C27H31ClFN5O2S/c1-2-12-34-26(36)24(19-25(35)30-22-8-4-20(28)5-9-22)33(27(34)37)14-3-13-31-15-17-32(18-16-31)23-10-6-21(29)7-11-23/h2,4-11,24H,1,3,12-19H2,(H,30,35)
InChIKey GCBLTQWGFDJNAN-UHFFFAOYSA-N
Mol Weight 544.09 g/mol
Molecular Formula C27H31ClFN5O2S
Exact Mass 543.187102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BNKvacIYR3h
Name 4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-oxo-1-(2-propenyl)-2-thioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.187102293 u
Formula C27H31ClFN5O2S
InChI InChI=1S/C27H31ClFN5O2S/c1-2-12-34-26(36)24(19-25(35)30-22-8-4-20(28)5-9-22)33(27(34)37)14-3-13-31-15-17-32(18-16-31)23-10-6-21(29)7-11-23/h2,4-11,24H,1,3,12-19H2,(H,30,35)
InChIKey GCBLTQWGFDJNAN-UHFFFAOYSA-N
Molecular Weight 544.089 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2366
Solvent DMSO-d6
Source Vendor ID: NMR/13268689