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2,4-thiophenedicarboxylic acid, 5-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester

View entire compound with spectra: 1 NMR

2,4-thiophenedicarboxylic acid, 5-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID Kho4japUfSs
InChI InChI=1S/C29H27F2N5O6S2/c1-4-41-27(39)23-16(3)24(28(40)42-5-2)44-26(23)33-22(37)15-43-29-35-34-21(36(29)18-12-10-17(30)11-13-18)14-32-25(38)19-8-6-7-9-20(19)31/h6-13H,4-5,14-15H2,1-3H3,(H,32,38)(H,33,37)
InChIKey TZROSVISZAXYHO-UHFFFAOYSA-N
Mol Weight 643.68 g/mol
Molecular Formula C29H27F2N5O6S2
Exact Mass 643.137082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cqim2rSApPq
Name 2,4-thiophenedicarboxylic acid, 5-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
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/C29H27F2N5O6S2/c1-4-41-27(39)23-16(3)24(28(40)42-5-2)44-26(23)33-22(37)15-43-29-35-34-21(36(29)18-12-10-17(30)11-13-18)14-32-25(38)19-8-6-7-9-20(19)31/h6-13H,4-5,14-15H2,1-3H3,(H,32,38)(H,33,37)
InChIKey TZROSVISZAXYHO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6687
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/10278698