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methyl 4-[({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID KiA7zSOWRBF
InChI InChI=1S/C24H28N4O3S/c1-6-28-21(16-7-11-18(12-8-16)24(2,3)4)26-27-23(28)32-15-20(29)25-19-13-9-17(10-14-19)22(30)31-5/h7-14H,6,15H2,1-5H3,(H,25,29)
InChIKey IHZXUADULZOKNK-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C24H28N4O3S
Exact Mass 452.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEfcft7eES3
Name methyl 4-[({[5-(4-tert-butylphenyl)-4-ethyl-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/C24H28N4O3S/c1-6-28-21(16-7-11-18(12-8-16)24(2,3)4)26-27-23(28)32-15-20(29)25-19-13-9-17(10-14-19)22(30)31-5/h7-14H,6,15H2,1-5H3,(H,25,29)
InChIKey IHZXUADULZOKNK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3845
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: D98124; Labnumber: GRES-16174; SBI_ID: SBI-003847
Temperature 318 °C