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2,4-thiophenedicarboxylic acid, 5-[[[[5-[[(2-furanylcarbonyl)amino]methyl]-4-(3-methylphenyl)-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-furanylcarbonyl)amino]methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID EGg3xus82Ok
InChI InChI=1S/C28H29N5O7S2/c1-5-38-26(36)22-17(4)23(27(37)39-6-2)42-25(22)30-21(34)15-41-28-32-31-20(14-29-24(35)19-11-8-12-40-19)33(28)18-10-7-9-16(3)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,29,35)(H,30,34)
InChIKey CHTLEJAUEGQRBF-UHFFFAOYSA-N
Mol Weight 611.69 g/mol
Molecular Formula C28H29N5O7S2
Exact Mass 611.150841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ce5fmgvg80
Name 2,4-thiophenedicarboxylic acid, 5-[[[[5-[[(2-furanylcarbonyl)amino]methyl]-4-(3-methylphenyl)-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/C28H29N5O7S2/c1-5-38-26(36)22-17(4)23(27(37)39-6-2)42-25(22)30-21(34)15-41-28-32-31-20(14-29-24(35)19-11-8-12-40-19)33(28)18-10-7-9-16(3)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,29,35)(H,30,34)
InChIKey CHTLEJAUEGQRBF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6671
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/10278681