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4-phenyl-5-[3-(trifluoromethyl)benzyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KD4La6yZULw
InChI InChI=1S/C16H12F3N3S/c17-16(18,19)12-6-4-5-11(9-12)10-14-20-21-15(23)22(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,21,23)
InChIKey AYAYMNNHDDTQDQ-UHFFFAOYSA-N
Mol Weight 335.35 g/mol
Molecular Formula C16H12F3N3S
Exact Mass 335.070403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID oTNWyktZqB
Name 4-phenyl-5-[3-(trifluoromethyl)benzyl]-4H-1,2,4-triazole-3-thiol
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/C16H12F3N3S/c17-16(18,19)12-6-4-5-11(9-12)10-14-20-21-15(23)22(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,21,23)
InChIKey AYAYMNNHDDTQDQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1169
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: NMR/9223006; Labnumber: LP-2190299
Temperature 303 °C