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ethyl 2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LjBQCoqnmQX
InChI InChI=1S/C25H26N2O5S2/c1-3-32-25(29)22-19-9-5-7-11-21(19)33-24(22)26-23(28)18-8-4-6-10-20(18)27-34(30,31)17-14-12-16(2)13-15-17/h4,6,8,10,12-15,27H,3,5,7,9,11H2,1-2H3,(H,26,28)
InChIKey BKLWXWIHVBSGMS-UHFFFAOYSA-N
Mol Weight 498.61 g/mol
Molecular Formula C25H26N2O5S2
Exact Mass 498.128314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1TSW95ROd7A
Name ethyl 2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H26N2O5S2/c1-3-32-25(29)22-19-9-5-7-11-21(19)33-24(22)26-23(28)18-8-4-6-10-20(18)27-34(30,31)17-14-12-16(2)13-15-17/h4,6,8,10,12-15,27H,3,5,7,9,11H2,1-2H3,(H,26,28)
InChIKey BKLWXWIHVBSGMS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4118
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/8305511; Labnumber: DS-0000918; IOH_ID: IOH-004119
Temperature 303 °C