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

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ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8gwTgBdV90o
InChI InChI=1S/C18H21BrN4O3S2/c1-3-23-9-11(19)14(22-23)15(24)20-18(27)21-16-13(17(25)26-4-2)10-7-5-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,20,21,24,27)
InChIKey PUQCPDAIOOQJBS-UHFFFAOYSA-N
Mol Weight 485.42 g/mol
Molecular Formula C18H21BrN4O3S2
Exact Mass 484.023846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CiQNnigo8u5
Name ethyl 2-[({[(4-bromo-1-ethyl-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/C18H21BrN4O3S2/c1-3-23-9-11(19)14(22-23)15(24)20-18(27)21-16-13(17(25)26-4-2)10-7-5-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,20,21,24,27)
InChIKey PUQCPDAIOOQJBS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8688
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: 1000896; UBI_ID: UBI-008691
Temperature 318 °C