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

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
SpectraBase Compound ID 2lZfErvdhJM
InChI InChI=1S/C19H15ClFN3OS/c1-2-11-24-18(14-3-7-15(20)8-4-14)22-23-19(24)26-12-17(25)13-5-9-16(21)10-6-13/h2-10H,1,11-12H2
InChIKey VRMGPRSTVWNMJI-UHFFFAOYSA-N
Mol Weight 387.86 g/mol
Molecular Formula C19H15ClFN3OS
Exact Mass 387.060839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9XuMyVz3uQY
Name 2-{[4-allyl-5-(4-chlorophenyl)-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/C19H15ClFN3OS/c1-2-11-24-18(14-3-7-15(20)8-4-14)22-23-19(24)26-12-17(25)13-5-9-16(21)10-6-13/h2-10H,1,11-12H2
InChIKey VRMGPRSTVWNMJI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4062
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: D98498; Labnumber: GRES-21928; SBI_ID: SBI-004064
Temperature 308 °C