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ethyl 2-({4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID AYbJ4plhvAc
InChI InChI=1S/C22H24BrN3O3S/c1-6-29-22(28)18-12(2)15(5)30-21(18)24-20(27)17-9-7-16(8-10-17)11-26-14(4)19(23)13(3)25-26/h7-10H,6,11H2,1-5H3,(H,24,27)
InChIKey PDNQTBVCZZLIIN-UHFFFAOYSA-N
Mol Weight 490.42 g/mol
Molecular Formula C22H24BrN3O3S
Exact Mass 489.072176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3K3bgg4w0Q7
Name ethyl 2-({4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
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/C22H24BrN3O3S/c1-6-29-22(28)18-12(2)15(5)30-21(18)24-20(27)17-9-7-16(8-10-17)11-26-14(4)19(23)13(3)25-26/h7-10H,6,11H2,1-5H3,(H,24,27)
InChIKey PDNQTBVCZZLIIN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10934
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/9078009; UBI_ID: UBI-010937
Temperature 313 °C