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benzamide, N-[[4-(4-ethoxyphenyl)-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]-3,5-dimethoxy-
SpectraBase Compound ID DXVKLVv6wQx
InChI InChI=1S/C35H33FN6O5S2/c1-4-47-26-13-11-25(12-14-26)41-32(20-37-34(44)23-16-27(45-2)18-28(17-23)46-3)38-39-35(41)49-21-33(43)42-30(22-7-9-24(36)10-8-22)19-29(40-42)31-6-5-15-48-31/h5-18,30H,4,19-21H2,1-3H3,(H,37,44)
InChIKey QKPVIQMQQSUZLZ-UHFFFAOYSA-N
Mol Weight 700.8 g/mol
Molecular Formula C35H33FN6O5S2
Exact Mass 700.193789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LIIZvU2LDDX
Name benzamide, N-[[4-(4-ethoxyphenyl)-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]-3,5-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/C35H33FN6O5S2/c1-4-47-26-13-11-25(12-14-26)41-32(20-37-34(44)23-16-27(45-2)18-28(17-23)46-3)38-39-35(41)49-21-33(43)42-30(22-7-9-24(36)10-8-22)19-29(40-42)31-6-5-15-48-31/h5-18,30H,4,19-21H2,1-3H3,(H,37,44)
InChIKey QKPVIQMQQSUZLZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6127
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/10266730