For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-furancarboxamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-

View entire compound with spectra: 1 NMR

2-furancarboxamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8sUIV99HDlJ
InChI InChI=1S/C29H22ClFN6O3S2/c30-19-4-1-5-21(14-19)36-26(16-32-28(39)24-6-2-12-40-24)33-34-29(36)42-17-27(38)37-23(18-8-10-20(31)11-9-18)15-22(35-37)25-7-3-13-41-25/h1-14,23H,15-17H2,(H,32,39)
InChIKey JYBKGWNMGUFWCW-UHFFFAOYSA-N
Mol Weight 621.11 g/mol
Molecular Formula C29H22ClFN6O3S2
Exact Mass 620.086737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DL1NAIGCp7i
Name 2-furancarboxamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-
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/C29H22ClFN6O3S2/c30-19-4-1-5-21(14-19)36-26(16-32-28(39)24-6-2-12-40-24)33-34-29(36)42-17-27(38)37-23(18-8-10-20(31)11-9-18)15-22(35-37)25-7-3-13-41-25/h1-14,23H,15-17H2,(H,32,39)
InChIKey JYBKGWNMGUFWCW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5539
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: NMR/10257231; Labnumber: F0514-4482