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methyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3EZ2nd8eIU7
InChI InChI=1S/C17H20N4O3S2/c1-3-21-9-10(8-18-21)14(22)19-17(25)20-15-13(16(23)24-2)11-6-4-5-7-12(11)26-15/h8-9H,3-7H2,1-2H3,(H2,19,20,22,25)
InChIKey VNALSMQDMHLXJU-UHFFFAOYSA-N
Mol Weight 392.49 g/mol
Molecular Formula C17H20N4O3S2
Exact Mass 392.097683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fwTxyJr0mJ
Name methyl 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/C17H20N4O3S2/c1-3-21-9-10(8-18-21)14(22)19-17(25)20-15-13(16(23)24-2)11-6-4-5-7-12(11)26-15/h8-9H,3-7H2,1-2H3,(H2,19,20,22,25)
InChIKey VNALSMQDMHLXJU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4481
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: 9682379; UBI_ID: UBI-004482
Temperature 313 °C