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ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FCC6b66ubuo
InChI InChI=1S/C18H22N4O3S2/c1-3-22-10-11(9-19-22)15(23)20-18(26)21-16-14(17(24)25-4-2)12-7-5-6-8-13(12)27-16/h9-10H,3-8H2,1-2H3,(H2,20,21,23,26)
InChIKey KUNQUFKKTSAHGT-UHFFFAOYSA-N
Mol Weight 406.52 g/mol
Molecular Formula C18H22N4O3S2
Exact Mass 406.113333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Icy3D81Pt6H
Name ethyl 2-[({[(1-ethyl-1H-pyrazol-4-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/C18H22N4O3S2/c1-3-22-10-11(9-19-22)15(23)20-18(26)21-16-14(17(24)25-4-2)12-7-5-6-8-13(12)27-16/h9-10H,3-8H2,1-2H3,(H2,20,21,23,26)
InChIKey KUNQUFKKTSAHGT-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4480
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: 9674945; UBI_ID: UBI-004481
Temperature 313 °C