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ethanone, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)-
SpectraBase Compound ID 2KpxFUgWmZG
InChI InChI=1S/C21H16FN3OS2/c1-14-10-11-19(28-14)18(26)13-27-21-24-23-20(15-6-5-7-16(22)12-15)25(21)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKey NJMDXYHTVAHJPV-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C21H16FN3OS2
Exact Mass 409.071883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8C8EpmXmcKe
Name ethanone, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.071882657 u
Formula C21H16FN3OS2
InChI InChI=1S/C21H16FN3OS2/c1-14-10-11-19(28-14)18(26)13-27-21-24-23-20(15-6-5-7-16(22)12-15)25(21)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKey NJMDXYHTVAHJPV-UHFFFAOYSA-N
Molecular Weight 409.497 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14142
Solvent DMSO-d6
Source Vendor ID: NMR/10300491; Lab Info: LP; Lab Number: LP-2190538