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2-furancarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8BcUmE2pLiU
InChI InChI=1S/C31H25F3N6O4S2/c1-43-22-11-9-19(10-12-22)24-16-23(26-8-4-14-45-26)38-40(24)28(41)18-46-30-37-36-27(17-35-29(42)25-7-3-13-44-25)39(30)21-6-2-5-20(15-21)31(32,33)34/h2-15,24H,16-18H2,1H3,(H,35,42)
InChIKey LJOQCULMQXYALG-UHFFFAOYSA-N
Mol Weight 666.69 g/mol
Molecular Formula C31H25F3N6O4S2
Exact Mass 666.13308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0O4cPmAksm
Name 2-furancarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-[3-(trifluoromethyl)phenyl]-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/C31H25F3N6O4S2/c1-43-22-11-9-19(10-12-22)24-16-23(26-8-4-14-45-26)38-40(24)28(41)18-46-30-37-36-27(17-35-29(42)25-7-3-13-44-25)39(30)21-6-2-5-20(15-21)31(32,33)34/h2-15,24H,16-18H2,1H3,(H,35,42)
InChIKey LJOQCULMQXYALG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5464
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/10257119; Labnumber: F0514-4519