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methyl 4-[({[4-(2-furylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID AoFVKBwi0gJ
InChI InChI=1S/C24H22N4O4S/c1-16-5-7-17(8-6-16)22-26-27-24(28(22)14-20-4-3-13-32-20)33-15-21(29)25-19-11-9-18(10-12-19)23(30)31-2/h3-13H,14-15H2,1-2H3,(H,25,29)
InChIKey UBLCSQBIXUMZBB-UHFFFAOYSA-N
Mol Weight 462.52 g/mol
Molecular Formula C24H22N4O4S
Exact Mass 462.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Cv3UNMgDYL
Name methyl 4-[({[4-(2-furylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C24H22N4O4S/c1-16-5-7-17(8-6-16)22-26-27-24(28(22)14-20-4-3-13-32-20)33-15-21(29)25-19-11-9-18(10-12-19)23(30)31-2/h3-13H,14-15H2,1-2H3,(H,25,29)
InChIKey UBLCSQBIXUMZBB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14618
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: D98785; Labnumber: GRES-26249; SBI_ID: SBI-014621
Temperature 318 °C