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benzamide, 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]-2-methoxy-
SpectraBase Compound ID EViiiBVY9Bz
InChI InChI=1S/C34H31FN6O5S2/c1-44-27-10-5-4-8-24(27)33(43)36-19-30-37-38-34(40(30)22-15-13-21(35)14-16-22)48-20-31(42)41-26(18-25(39-41)29-12-7-17-47-29)23-9-6-11-28(45-2)32(23)46-3/h4-17,26H,18-20H2,1-3H3,(H,36,43)
InChIKey VUNHHJLRFMGMPP-UHFFFAOYSA-N
Mol Weight 686.8 g/mol
Molecular Formula C34H31FN6O5S2
Exact Mass 686.178139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Tx0dnCDsOJ
Name benzamide, 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]-2-methoxy-
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/C34H31FN6O5S2/c1-44-27-10-5-4-8-24(27)33(43)36-19-30-37-38-34(40(30)22-15-13-21(35)14-16-22)48-20-31(42)41-26(18-25(39-41)29-12-7-17-47-29)23-9-6-11-28(45-2)32(23)46-3/h4-17,26H,18-20H2,1-3H3,(H,36,43)
InChIKey VUNHHJLRFMGMPP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5513
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/10257182; Labnumber: F0514-0768