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methyl 6-methyl-2-({[(4-pyridinylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Kx79SKJIInX
InChI InChI=1S/C18H21N3O2S2/c1-11-3-4-13-14(9-11)25-16(15(13)17(22)23-2)21-18(24)20-10-12-5-7-19-8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,24)
InChIKey GAELRNOJBRJFHK-UHFFFAOYSA-N
Mol Weight 375.51 g/mol
Molecular Formula C18H21N3O2S2
Exact Mass 375.107519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CzL5MZh1b2X
Name methyl 6-methyl-2-({[(4-pyridinylmethyl)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/C18H21N3O2S2/c1-11-3-4-13-14(9-11)25-16(15(13)17(22)23-2)21-18(24)20-10-12-5-7-19-8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,24)
InChIKey GAELRNOJBRJFHK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8270
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/1269142; Labnumber: COL7317; UZI_ID: UZI-008272
Temperature 306 °C