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ethanone, 1-(4-methylphenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID JZCJ58Yik61
InChI InChI=1S/C26H26N4OS/c1-18-8-12-21(13-9-18)24(31)17-32-26-29-28-25(16-27-22-14-10-19(2)11-15-22)30(26)23-7-5-4-6-20(23)3/h4-15,27H,16-17H2,1-3H3
InChIKey RYXNQVHDQHCAMD-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C26H26N4OS
Exact Mass 442.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76YntKKl3dI
Name ethanone, 1-(4-methylphenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.182732646 u
Formula C26H26N4OS
InChI InChI=1S/C26H26N4OS/c1-18-8-12-21(13-9-18)24(31)17-32-26-29-28-25(16-27-22-14-10-19(2)11-15-22)30(26)23-7-5-4-6-20(23)3/h4-15,27H,16-17H2,1-3H3
InChIKey RYXNQVHDQHCAMD-UHFFFAOYSA-N
Molecular Weight 442.581 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16216
Solvent DMSO-d6
Source Vendor ID: NMR/10321054; Lab Info: DEM; Lab Number: DEM-0000170