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ethyl 2-({[(4-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 6nQXHhEluWS
InChI InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-14-6-4-5-7-15(14)27-18(16)22-20(26)21-17(23)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3,(H2,21,22,23,26)
InChIKey LRIRGZHEWIMXIU-UHFFFAOYSA-N
Mol Weight 402.53 g/mol
Molecular Formula C20H22N2O3S2
Exact Mass 402.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CbBlKF1nsX5
Name ethyl 2-({[(4-methylbenzoyl)amino]carbothioyl}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/C20H22N2O3S2/c1-3-25-19(24)16-14-6-4-5-7-15(14)27-18(16)22-20(26)21-17(23)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3,(H2,21,22,23,26)
InChIKey LRIRGZHEWIMXIU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2758
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: 114313; Labnumber: RRKR-2127; VK_ID: VK-002759
Temperature 318 °C