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acetamide, N-(2,3-dimethylphenyl)-2-[[5-(hydroxyphenylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID JMJryDs3PKK
InChI InChI=1S/C25H24N4O2S/c1-17-10-9-15-21(18(17)2)26-22(30)16-32-25-28-27-24(23(31)19-11-5-3-6-12-19)29(25)20-13-7-4-8-14-20/h3-15,23,31H,16H2,1-2H3,(H,26,30)
InChIKey BHZCURSSFGHQPU-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C25H24N4O2S
Exact Mass 444.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LZbqirZSyWp
Name acetamide, N-(2,3-dimethylphenyl)-2-[[5-(hydroxyphenylmethyl)-4-phenyl-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 444.161997201 u
Formula C25H24N4O2S
InChI InChI=1S/C25H24N4O2S/c1-17-10-9-15-21(18(17)2)26-22(30)16-32-25-28-27-24(23(31)19-11-5-3-6-12-19)29(25)20-13-7-4-8-14-20/h3-15,23,31H,16H2,1-2H3,(H,26,30)
InChIKey BHZCURSSFGHQPU-UHFFFAOYSA-N
Molecular Weight 444.553 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4004
Solvent DMSO-d6
Source Vendor ID: NMR/9223413; Lab Info: LP; Lab Number: LP-2190442