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methyl 4-[({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

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methyl 4-[({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID IxgI56izchD
InChI InChI=1S/C26H24N4O4S/c1-17-4-6-18(7-5-17)24-28-29-26(30(24)21-12-14-22(33-2)15-13-21)35-16-23(31)27-20-10-8-19(9-11-20)25(32)34-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey KMPUTADESGOKFV-UHFFFAOYSA-N
Mol Weight 488.56 g/mol
Molecular Formula C26H24N4O4S
Exact Mass 488.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J35p9tSnC8m
Name methyl 4-[({[4-(4-methoxyphenyl)-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/C26H24N4O4S/c1-17-4-6-18(7-5-17)24-28-29-26(30(24)21-12-14-22(33-2)15-13-21)35-16-23(31)27-20-10-8-19(9-11-20)25(32)34-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey KMPUTADESGOKFV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4034
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: D98443; Labnumber: GRES-21023; SBI_ID: SBI-004036
Temperature 308 °C