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acetamide, N-(2,4-dimethylphenyl)-2-[[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID BBTkePXdR0z
InChI InChI=1S/C23H21N5OS/c1-16-8-9-20(17(2)14-16)25-21(29)15-30-23-27-26-22(18-10-12-24-13-11-18)28(23)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,29)
InChIKey PMRKSJQUEPPEGH-UHFFFAOYSA-N
Mol Weight 415.52 g/mol
Molecular Formula C23H21N5OS
Exact Mass 415.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 68BIiv3JjfQ
Name acetamide, N-(2,4-dimethylphenyl)-2-[[4-phenyl-5-(4-pyridinyl)-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 415.146681489 u
Formula C23H21N5OS
InChI InChI=1S/C23H21N5OS/c1-16-8-9-20(17(2)14-16)25-21(29)15-30-23-27-26-22(18-10-12-24-13-11-18)28(23)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,29)
InChIKey PMRKSJQUEPPEGH-UHFFFAOYSA-N
Molecular Weight 415.515 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7873
Solvent DMSO-d6
Source Vendor ID: NMR/10231863; Lab Info: LP; Lab Number: LP-2100425
Temperature 23.85 °C