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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-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
SpectraBase Compound ID 56TP2miG17F
InChI InChI=1S/C35H33FN6O4S2/c1-45-29-14-7-13-26(33(29)46-2)28-20-27(30-15-8-18-47-30)40-42(28)32(43)22-48-35-39-38-31(41(35)17-16-23-9-4-3-5-10-23)21-37-34(44)24-11-6-12-25(36)19-24/h3-15,18-19,28H,16-17,20-22H2,1-2H3,(H,37,44)
InChIKey FAYCJABDTHXRTR-UHFFFAOYSA-N
Mol Weight 684.8 g/mol
Molecular Formula C35H33FN6O4S2
Exact Mass 684.198874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9OEyi3oFLMC
Name benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-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/C35H33FN6O4S2/c1-45-29-14-7-13-26(33(29)46-2)28-20-27(30-15-8-18-47-30)40-42(28)32(43)22-48-35-39-38-31(41(35)17-16-23-9-4-3-5-10-23)21-37-34(44)24-11-6-12-25(36)19-24/h3-15,18-19,28H,16-17,20-22H2,1-2H3,(H,37,44)
InChIKey FAYCJABDTHXRTR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5569
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/10257270; Labnumber: F0514-5119