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2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
SpectraBase Compound ID 41lcCQx30Rh
InChI InChI=1S/C25H25N5O2S/c1-18-9-8-10-19(15-18)27-24(31)17-33-25-29-28-23(30(25)20-11-4-3-5-12-20)16-26-21-13-6-7-14-22(21)32-2/h3-15,26H,16-17H2,1-2H3,(H,27,31)
InChIKey IGIDEAHMESIJQU-UHFFFAOYSA-N
Mol Weight 459.57 g/mol
Molecular Formula C25H25N5O2S
Exact Mass 459.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2e5dEEszJSa
Name 2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
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/C25H25N5O2S/c1-18-9-8-10-19(15-18)27-24(31)17-33-25-29-28-23(30(25)20-11-4-3-5-12-20)16-26-21-13-6-7-14-22(21)32-2/h3-15,26H,16-17H2,1-2H3,(H,27,31)
InChIKey IGIDEAHMESIJQU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3356
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/8092055; UBI_ID: UBI-003357
Temperature 308 °C