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benzamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
SpectraBase Compound ID 8HjcK7b7OkR
InChI InChI=1S/C33H28ClFN6O4S2/c1-44-27-12-5-11-24(31(27)45-2)26-17-25(28-13-6-14-46-28)39-41(26)30(42)19-47-33-38-37-29(40(33)23-10-4-8-21(34)16-23)18-36-32(43)20-7-3-9-22(35)15-20/h3-16,26H,17-19H2,1-2H3,(H,36,43)
InChIKey NGZPSHHTYIQIFG-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C33H28ClFN6O4S2
Exact Mass 690.128602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EhIIW1q7NxR
Name benzamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
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/C33H28ClFN6O4S2/c1-44-27-12-5-11-24(31(27)45-2)26-17-25(28-13-6-14-46-28)39-41(26)30(42)19-47-33-38-37-29(40(33)23-10-4-8-21(34)16-23)18-36-32(43)20-7-3-9-22(35)15-20/h3-16,26H,17-19H2,1-2H3,(H,36,43)
InChIKey NGZPSHHTYIQIFG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5498
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/10257162; Labnumber: F0514-0456