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ethanediamide, N~1~-[(4-methylphenyl)methyl]-N~2~-[2-[4-(phenylsulfonyl)-1-piperazinyl]ethyl]-
SpectraBase Compound ID ErDVhLwtXGk
InChI InChI=1S/C22H28N4O4S/c1-18-7-9-19(10-8-18)17-24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)31(29,30)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKey OSKKRYLRUSXZOT-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C22H28N4O4S
Exact Mass 444.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CpJBDxdEgJc
Name ethanediamide, N~1~-[(4-methylphenyl)methyl]-N~2~-[2-[4-(phenylsulfonyl)-1-piperazinyl]ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.183126568 u
Formula C22H28N4O4S
InChI InChI=1S/C22H28N4O4S/c1-18-7-9-19(10-8-18)17-24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)31(29,30)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKey OSKKRYLRUSXZOT-UHFFFAOYSA-N
Molecular Weight 444.550 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5884
Solvent DMSO-d6
Source Vendor ID: NMR/9322732; Lab Info: LP; Lab Number: LP-0201313