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ethyl 2-[({[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AG4UVKKF9aO
InChI InChI=1S/C17H19ClN4O3S2/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)20-17(26)19-14(23)13-10(18)8-22(2)21-13/h8H,3-7H2,1-2H3,(H2,19,20,23,26)
InChIKey GDOPJDSTOQTHAM-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 3MfU8iLxyde
Name ethyl 2-[({[(4-chloro-1-methyl-1H-pyrazol-3-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/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)20-17(26)19-14(23)13-10(18)8-22(2)21-13/h8H,3-7H2,1-2H3,(H2,19,20,23,26)
InChIKey GDOPJDSTOQTHAM-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15310
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/6210518; UBI_ID: UBI-015313
Temperature 300 °C