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benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 14YkC8MReK0
InChI InChI=1S/C34H31FN6O4S2/c1-44-28-11-6-10-25(33(28)45-2)27-19-26(29-12-7-17-46-29)39-41(27)32(43)21-47-34-38-37-30(40(34)24-15-13-23(35)14-16-24)20-36-31(42)18-22-8-4-3-5-9-22/h3-17,27H,18-21H2,1-2H3,(H,36,42)
InChIKey PDZQHMLAGJFLGT-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C34H31FN6O4S2
Exact Mass 670.183224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0WboF5KeIz
Name benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-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/C34H31FN6O4S2/c1-44-28-11-6-10-25(33(28)45-2)27-19-26(29-12-7-17-46-29)39-41(27)32(43)21-47-34-38-37-30(40(34)24-15-13-23(35)14-16-24)20-36-31(42)18-22-8-4-3-5-9-22/h3-17,27H,18-21H2,1-2H3,(H,36,42)
InChIKey PDZQHMLAGJFLGT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5453
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/10257105; Labnumber: F0514-3936