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2-{1-allyl-3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID 3ssPSTLs0Hk
InChI InChI=1S/C28H34ClN5O2S/c1-2-13-34-27(36)25(20-26(35)30-24-11-9-23(29)10-12-24)33(28(34)37)15-6-14-31-16-18-32(19-17-31)21-22-7-4-3-5-8-22/h2-5,7-12,25H,1,6,13-21H2,(H,30,35)
InChIKey VKWFFADNUFENGG-UHFFFAOYSA-N
Mol Weight 540.1 g/mol
Molecular Formula C28H34ClN5O2S
Exact Mass 539.212174 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IPRb5ycJrO
Name 2-{1-allyl-3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.212174227 u
Formula C28H34ClN5O2S
InChI InChI=1S/C28H34ClN5O2S/c1-2-13-34-27(36)25(20-26(35)30-24-11-9-23(29)10-12-24)33(28(34)37)15-6-14-31-16-18-32(19-17-31)21-22-7-4-3-5-8-22/h2-5,7-12,25H,1,6,13-21H2,(H,30,35)
InChIKey VKWFFADNUFENGG-UHFFFAOYSA-N
Molecular Weight 540.126 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5436
Solvent DMSO-d6
Source Vendor ID: NMR/12319137