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benzamide, N-[[4-(4-fluorophenyl)-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]-3,4-dimethoxy-
SpectraBase Compound ID BQMDrjjj9wA
InChI InChI=1S/C33H28F2N6O4S2/c1-44-27-14-7-21(16-28(27)45-2)32(43)36-18-30-37-38-33(40(30)24-12-10-23(35)11-13-24)47-19-31(42)41-26(20-5-8-22(34)9-6-20)17-25(39-41)29-4-3-15-46-29/h3-16,26H,17-19H2,1-2H3,(H,36,43)
InChIKey HGOOWRCICZEYTC-UHFFFAOYSA-N
Mol Weight 674.7 g/mol
Molecular Formula C33H28F2N6O4S2
Exact Mass 674.158152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8AAePJJg7nj
Name benzamide, N-[[4-(4-fluorophenyl)-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]-3,4-dimethoxy-
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/C33H28F2N6O4S2/c1-44-27-14-7-21(16-28(27)45-2)32(43)36-18-30-37-38-33(40(30)24-12-10-23(35)11-13-24)47-19-31(42)41-26(20-5-8-22(34)9-6-20)17-25(39-41)29-4-3-15-46-29/h3-16,26H,17-19H2,1-2H3,(H,36,43)
InChIKey HGOOWRCICZEYTC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5532
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/10257223; Labnumber: F0514-2634