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2,4-thiophenedicarboxylic acid, 5-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-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-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID IiHFKiNiyR4
InChI InChI=1S/C31H32FN5O7S2/c1-5-42-20-14-12-19(13-15-20)37-23(16-33-27(39)21-10-8-9-11-22(21)32)35-36-31(37)45-17-24(38)34-28-25(29(40)43-6-2)18(4)26(46-28)30(41)44-7-3/h8-15H,5-7,16-17H2,1-4H3,(H,33,39)(H,34,38)
InChIKey LXGNEVBMUYLMKY-UHFFFAOYSA-N
Mol Weight 669.7 g/mol
Molecular Formula C31H32FN5O7S2
Exact Mass 669.172719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9k44TS7nnZ
Name 2,4-thiophenedicarboxylic acid, 5-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-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/C31H32FN5O7S2/c1-5-42-20-14-12-19(13-15-20)37-23(16-33-27(39)21-10-8-9-11-22(21)32)35-36-31(37)45-17-24(38)34-28-25(29(40)43-6-2)18(4)26(46-28)30(41)44-7-3/h8-15H,5-7,16-17H2,1-4H3,(H,33,39)(H,34,38)
InChIKey LXGNEVBMUYLMKY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6690
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/10278701