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methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FBIpvdEHPDP
InChI InChI=1S/C22H23ClN4O2S2/c1-13-3-8-16-17(11-13)31-20(19(16)21(28)29-2)25-22(30)24-18-9-10-27(26-18)12-14-4-6-15(23)7-5-14/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H2,24,25,26,30)
InChIKey IDYNMDALSFXGGN-UHFFFAOYSA-N
Mol Weight 475.03 g/mol
Molecular Formula C22H23ClN4O2S2
Exact Mass 474.095096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zRB9zWp2jW
Name methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-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/C22H23ClN4O2S2/c1-13-3-8-16-17(11-13)31-20(19(16)21(28)29-2)25-22(30)24-18-9-10-27(26-18)12-14-4-6-15(23)7-5-14/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H2,24,25,26,30)
InChIKey IDYNMDALSFXGGN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8241
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: UZI/1269257; Labnumber: COL7237; UZI_ID: UZI-008243
Temperature 318 °C