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4-{(E)-[2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazono]methyl}phenyl 3-bromo-1-methyl-1H-pyrazole-4-carboxylate

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4-{(E)-[2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazono]methyl}phenyl 3-bromo-1-methyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID BlDMysRxbpP
InChI InChI=1S/C21H19BrN4O3S/c1-26-11-16(19(22)25-26)21(28)29-14-8-6-13(7-9-14)10-23-24-20(27)17-12-30-18-5-3-2-4-15(17)18/h6-12H,2-5H2,1H3,(H,24,27)/b23-10+
InChIKey GONNNZAGQDXNCF-AUEPDCJTSA-N
Mol Weight 487.37 g/mol
Molecular Formula C21H19BrN4O3S
Exact Mass 486.036125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EVa8tl5xky
Name 4-{(E)-[2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazono]methyl}phenyl 3-bromo-1-methyl-1H-pyrazole-4-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/C21H19BrN4O3S/c1-26-11-16(19(22)25-26)21(28)29-14-8-6-13(7-9-14)10-23-24-20(27)17-12-30-18-5-3-2-4-15(17)18/h6-12H,2-5H2,1H3,(H,24,27)/b23-10+
InChIKey GONNNZAGQDXNCF-AUEPDCJTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15521
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/9680675; Labnumber: NSB-0098794; UZI_ID: UZI-015525
Synonyms 4-{[2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazono]methyl}phenyl 3-bromo-1-methyl-1H-pyrazole-4-carboxylate
Temperature 318 °C