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3-(4-Methoxyphenyl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 97F08cOVEFK
InChI InChI=1S/C22H18N4O3S/c1-29-20-13-9-17(10-14-20)21-23-24-22(25(21)18-5-3-2-4-6-18)30-15-16-7-11-19(12-8-16)26(27)28/h2-14H,15H2,1H3
InChIKey VZQUJSZIPOGLAO-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C22H18N4O3S
Exact Mass 418.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID APJveJXCyCc
Name 4H-1,2,4-triazole, 3-(4-methoxyphenyl)-5-[[(4-nitrophenyl)methyl]thio]-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.109961627 u
Formula C22H18N4O3S
InChI InChI=1S/C22H18N4O3S/c1-29-20-13-9-17(10-14-20)21-23-24-22(25(21)18-5-3-2-4-6-18)30-15-16-7-11-19(12-8-16)26(27)28/h2-14H,15H2,1H3
InChIKey VZQUJSZIPOGLAO-UHFFFAOYSA-N
Molecular Weight 418.471 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13368
Solvent DMSO-d6
Source Vendor ID: NMR/10300045; Lab Info: LP; Lab Number: LP-205208