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ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
SpectraBase Compound ID KaRn4lopRlo
InChI InChI=1S/C29H36ClN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(20-26(36)31-23-10-8-22(30)9-11-23)27(37)35(29(34)40)24-12-6-21(7-13-24)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey DFDDDJYRNCYDDD-UHFFFAOYSA-N
Mol Weight 586.2 g/mol
Molecular Formula C29H36ClN5O4S
Exact Mass 585.217654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2cQZ9SMDwC6
Name ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 585.217653529 u
Formula C29H36ClN5O4S
InChI InChI=1S/C29H36ClN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(20-26(36)31-23-10-8-22(30)9-11-23)27(37)35(29(34)40)24-12-6-21(7-13-24)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey DFDDDJYRNCYDDD-UHFFFAOYSA-N
Molecular Weight 586.151 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5423
Solvent DMSO-d6
Source Vendor ID: NMR/12319124