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ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5CliOCtmEMS
InChI InChI=1S/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)
InChIKey LTFYFGBOJBPBAI-UHFFFAOYSA-N
Mol Weight 499.44 g/mol
Molecular Formula C19H23BrN4O3S2
Exact Mass 498.039496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 193K52IdHwq
Name ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)
InChIKey LTFYFGBOJBPBAI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8686
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: 1000841; UBI_ID: UBI-008689
Temperature 318 °C