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ethyl 6-methyl-2-[({[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2h8o3mx6UUm
InChI InChI=1S/C18H22N4O3S2/c1-4-25-17(24)14-11-6-5-10(2)9-13(11)27-16(14)21-18(26)20-15(23)12-7-8-19-22(12)3/h7-8,10H,4-6,9H2,1-3H3,(H2,20,21,23,26)
InChIKey LQWQEICIQIXQFI-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 3J7iclJ7nIt
Name ethyl 6-methyl-2-[({[(1-methyl-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/C18H22N4O3S2/c1-4-25-17(24)14-11-6-5-10(2)9-13(11)27-16(14)21-18(26)20-15(23)12-7-8-19-22(12)3/h7-8,10H,4-6,9H2,1-3H3,(H2,20,21,23,26)
InChIKey LQWQEICIQIXQFI-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15188
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/6198837; UBI_ID: UBI-015191
Temperature 300 °C