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2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID JtdQMfnk8D7
InChI InChI=1S/C25H24N4O3S/c1-31-20-14-12-18(13-15-20)22(30)17-33-25-28-27-24(29(25)19-8-4-3-5-9-19)16-26-21-10-6-7-11-23(21)32-2/h3-15,26H,16-17H2,1-2H3
InChIKey BJZLNSDAXOIWJA-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C25H24N4O3S
Exact Mass 460.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27tAHh405gI
Name 2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
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/C25H24N4O3S/c1-31-20-14-12-18(13-15-20)22(30)17-33-25-28-27-24(29(25)19-8-4-3-5-9-19)16-26-21-10-6-7-11-23(21)32-2/h3-15,26H,16-17H2,1-2H3
InChIKey BJZLNSDAXOIWJA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3228
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: UZI/8080081; UBI_ID: UBI-003229
Temperature 313 °C