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benzeneacetamide, 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

benzeneacetamide, 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 CxC3Tz4hH8y
InChI InChI=1S/C34H31FN6O2S2/c35-27-15-13-26(14-16-27)29-21-28(30-12-7-19-44-30)39-41(29)33(43)23-45-34-38-37-31(40(34)18-17-24-8-3-1-4-9-24)22-36-32(42)20-25-10-5-2-6-11-25/h1-16,19,29H,17-18,20-23H2,(H,36,42)
InChIKey JIQQAJCASNSKOB-UHFFFAOYSA-N
Mol Weight 638.8 g/mol
Molecular Formula C34H31FN6O2S2
Exact Mass 638.193395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6GLeLn9aR4
Name benzeneacetamide, 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/C34H31FN6O2S2/c35-27-15-13-26(14-16-27)29-21-28(30-12-7-19-44-30)39-41(29)33(43)23-45-34-38-37-31(40(34)18-17-24-8-3-1-4-9-24)22-36-32(42)20-25-10-5-2-6-11-25/h1-16,19,29H,17-18,20-23H2,(H,36,42)
InChIKey JIQQAJCASNSKOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5469
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/10257125; Labnumber: F0514-5341