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methyl 2-{[(4-benzyl-1-piperazinyl)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GcfRmkJM4Sg
InChI InChI=1S/C22H27N3O2S2/c1-27-21(26)19-17-9-5-6-10-18(17)29-20(19)23-22(28)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-15H2,1H3,(H,23,28)
InChIKey MJHGYZJORHRGEQ-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C22H27N3O2S2
Exact Mass 429.154469 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 992kaOUbH5l
Name methyl 2-{[(4-benzyl-1-piperazinyl)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/C22H27N3O2S2/c1-27-21(26)19-17-9-5-6-10-18(17)29-20(19)23-22(28)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-15H2,1H3,(H,23,28)
InChIKey MJHGYZJORHRGEQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7830
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/1268323; Labnumber: COL6198; UZI_ID: UZI-007832
Temperature 318 °C