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

View entire compound with spectra: 1 NMR

2,4-thiophenedicarboxylic acid, 5-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID CP6MlITlZIt
InChI InChI=1S/C25H28FN5O6S2/c1-6-36-23(34)18-13(3)19(24(35)37-7-2)39-22(18)28-20(32)14(4)38-25-30-29-17(31(25)5)12-27-21(33)15-10-8-9-11-16(15)26/h8-11,14H,6-7,12H2,1-5H3,(H,27,33)(H,28,32)
InChIKey SPRGOYTXBDLWRV-UHFFFAOYSA-N
Mol Weight 577.65 g/mol
Molecular Formula C25H28FN5O6S2
Exact Mass 577.146504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 13jNuSu1SIa
Name 2,4-thiophenedicarboxylic acid, 5-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]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/C25H28FN5O6S2/c1-6-36-23(34)18-13(3)19(24(35)37-7-2)39-22(18)28-20(32)14(4)38-25-30-29-17(31(25)5)12-27-21(33)15-10-8-9-11-16(15)26/h8-11,14H,6-7,12H2,1-5H3,(H,27,33)(H,28,32)
InChIKey SPRGOYTXBDLWRV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6700
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/10278712