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

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methyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FBHmPsxx9fZ
InChI InChI=1S/C17H19ClN4O3S2/c1-3-22-13(10(18)8-19-22)14(23)20-17(26)21-15-12(16(24)25-2)9-6-4-5-7-11(9)27-15/h8H,3-7H2,1-2H3,(H2,20,21,23,26)
InChIKey JQCBTRIMDFUROK-UHFFFAOYSA-N
Mol Weight 426.94 g/mol
Molecular Formula C17H19ClN4O3S2
Exact Mass 426.058711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1lBq7jjvuTs
Name methyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]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/C17H19ClN4O3S2/c1-3-22-13(10(18)8-19-22)14(23)20-17(26)21-15-12(16(24)25-2)9-6-4-5-7-11(9)27-15/h8H,3-7H2,1-2H3,(H2,20,21,23,26)
InChIKey JQCBTRIMDFUROK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4504
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: 9684348; UBI_ID: UBI-004505
Temperature 313 °C