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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
SpectraBase Compound ID 3jwcAktslBI
InChI InChI=1S/C20H18FN3O2S/c1-3-12-24-19(15-6-10-17(26-2)11-7-15)22-23-20(24)27-13-18(25)14-4-8-16(21)9-5-14/h3-11H,1,12-13H2,2H3
InChIKey KBKSNLYRIOYQPX-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C20H18FN3O2S
Exact Mass 383.110376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A1UnMwAhKjg
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H18FN3O2S/c1-3-12-24-19(15-6-10-17(26-2)11-7-15)22-23-20(24)27-13-18(25)14-4-8-16(21)9-5-14/h3-11H,1,12-13H2,2H3
InChIKey KBKSNLYRIOYQPX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14389
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D98360; Labnumber: GRES-19845; SBI_ID: SBI-014392
Temperature 308 °C