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4H-1,2,4-triazole, 3-(3-fluorophenyl)-5-[(2-methyl-2-propenyl)thio]-4-phenyl-
SpectraBase Compound ID AFRl8AznWj4
InChI InChI=1S/C18H16FN3S/c1-13(2)12-23-18-21-20-17(14-7-6-8-15(19)11-14)22(18)16-9-4-3-5-10-16/h3-11H,1,12H2,2H3
InChIKey IIQWSEDKYRWNPC-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C18H16FN3S
Exact Mass 325.104897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zR08lxa1QI
Name 4H-1,2,4-triazole, 3-(3-fluorophenyl)-5-[(2-methyl-2-propenyl)thio]-4-phenyl-
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/C18H16FN3S/c1-13(2)12-23-18-21-20-17(14-7-6-8-15(19)11-14)22(18)16-9-4-3-5-10-16/h3-11H,1,12H2,2H3
InChIKey IIQWSEDKYRWNPC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_934
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/8211556; Labnumber: LP-2180304
Temperature 303 °C