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4-methyl-3-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
SpectraBase Compound ID HEz8P8nf6ty
InChI InChI=1S/C17H14F3N3S/c1-23-15(13-7-3-2-4-8-13)21-22-16(23)24-11-12-6-5-9-14(10-12)17(18,19)20/h2-10H,11H2,1H3
InChIKey GVAAQTDSZVPWMS-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C17H14F3N3S
Exact Mass 349.086053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6JfW5hZwc9M
Name 4-methyl-3-phenyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
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/C17H14F3N3S/c1-23-15(13-7-3-2-4-8-13)21-22-16(23)24-11-12-6-5-9-14(10-12)17(18,19)20/h2-10H,11H2,1H3
InChIKey GVAAQTDSZVPWMS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1607
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/9244680; Labnumber: LP-2190706
Temperature 303 °C