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

View entire compound with spectra: 1 NMR

2-furancarboxamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID DJesy1z98cZ
InChI InChI=1S/C31H27FN6O3S2/c32-23-12-10-22(11-13-23)25-18-24(27-9-5-17-42-27)36-38(25)29(39)20-43-31-35-34-28(19-33-30(40)26-8-4-16-41-26)37(31)15-14-21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-20H2,(H,33,40)
InChIKey XKZQGYNHVUVGIF-UHFFFAOYSA-N
Mol Weight 614.71 g/mol
Molecular Formula C31H27FN6O3S2
Exact Mass 614.157009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gebhKWH80W
Name 2-furancarboxamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-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/C31H27FN6O3S2/c32-23-12-10-22(11-13-23)25-18-24(27-9-5-17-42-27)36-38(25)29(39)20-43-31-35-34-28(19-33-30(40)26-8-4-16-41-26)37(31)15-14-21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-20H2,(H,33,40)
InChIKey XKZQGYNHVUVGIF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5470
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/10257126; Labnumber: F0514-5345