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ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GbeHS0BHgxJ
InChI InChI=1S/C20H20BrN3O4S/c1-2-27-20(26)17-14-5-3-4-6-16(14)29-19(17)23-18(25)15-8-7-13(28-15)11-24-10-12(21)9-22-24/h7-10H,2-6,11H2,1H3,(H,23,25)
InChIKey HDZFNNIFECPEFD-UHFFFAOYSA-N
Mol Weight 478.36 g/mol
Molecular Formula C20H20BrN3O4S
Exact Mass 477.03579 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GeGNHI2CtZL
Name ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}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/C20H20BrN3O4S/c1-2-27-20(26)17-14-5-3-4-6-16(14)29-19(17)23-18(25)15-8-7-13(28-15)11-24-10-12(21)9-22-24/h7-10H,2-6,11H2,1H3,(H,23,25)
InChIKey HDZFNNIFECPEFD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12022
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/9099945; UBI_ID: UBI-012025
Temperature 318 °C