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2-Chlorobenzyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Chlorobenzyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID Abwc7YIThIj
InChI InChI=1S/C21H15ClFN3S/c22-19-12-5-4-7-16(19)14-27-21-25-24-20(15-8-6-9-17(23)13-15)26(21)18-10-2-1-3-11-18/h1-13H,14H2
InChIKey CIHRPCVURJWQGF-UHFFFAOYSA-N
Mol Weight 395.88 g/mol
Molecular Formula C21H15ClFN3S
Exact Mass 395.065925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID gPUauOE7HH
Name 4H-1,2,4-triazole, 3-[[(2-chlorophenyl)methyl]thio]-5-(3-fluorophenyl)-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 395.065924532 u
Formula C21H15ClFN3S
InChI InChI=1S/C21H15ClFN3S/c22-19-12-5-4-7-16(19)14-27-21-25-24-20(15-8-6-9-17(23)13-15)26(21)18-10-2-1-3-11-18/h1-13H,14H2
InChIKey CIHRPCVURJWQGF-UHFFFAOYSA-N
Molecular Weight 395.883 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13377
Solvent DMSO-d6
Source Vendor ID: NMR/10300042; Lab Info: LP; Lab Number: LP-205201