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isopropyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID GU0TALGjJzm
InChI InChI=1S/C17H22BrN3O3S/c1-6-11-10(5)25-16(13(11)17(23)24-9(3)4)20-15(22)14-12(18)8-19-21(14)7-2/h8-9H,6-7H2,1-5H3,(H,20,22)
InChIKey GKLYQGBEFOAXHL-UHFFFAOYSA-N
Mol Weight 428.35 g/mol
Molecular Formula C17H22BrN3O3S
Exact Mass 427.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4JqRxh8WcNY
Name isopropyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-ethyl-5-methyl-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/C17H22BrN3O3S/c1-6-11-10(5)25-16(13(11)17(23)24-9(3)4)20-15(22)14-12(18)8-19-21(14)7-2/h8-9H,6-7H2,1-5H3,(H,20,22)
InChIKey GKLYQGBEFOAXHL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10317
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/9071785; UBI_ID: UBI-010320
Temperature 308 °C