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pyridine, 4-[5-[[(4-bromophenyl)methyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID IwnJMY4aqKz
InChI InChI=1S/C21H17BrN4S/c22-19-8-6-17(7-9-19)15-27-21-25-24-20(18-10-12-23-13-11-18)26(21)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey KKISOWQVDFQKKG-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C21H17BrN4S
Exact Mass 436.035731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFvLT5803mj
Name pyridine, 4-[5-[[(4-bromophenyl)methyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.035730737 u
Formula C21H17BrN4S
InChI InChI=1S/C21H17BrN4S/c22-19-8-6-17(7-9-19)15-27-21-25-24-20(18-10-12-23-13-11-18)26(21)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey KKISOWQVDFQKKG-UHFFFAOYSA-N
Molecular Weight 437.359 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3908
Solvent DMSO-d6
Source Vendor ID: NMR/13279275