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4-(4-butylphenyl)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(4-butylphenyl)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Ao4LSUfH6NQ
InChI InChI=1S/C18H18FN3S/c1-2-3-6-13-9-11-14(12-10-13)22-17(20-21-18(22)23)15-7-4-5-8-16(15)19/h4-5,7-12H,2-3,6H2,1H3,(H,21,23)
InChIKey BBDAVOJGDYWMKH-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C18H18FN3S
Exact Mass 327.120547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdN2L2JInsp
Name 4-(4-butylphenyl)-5-(2-fluorophenyl)-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/C18H18FN3S/c1-2-3-6-13-9-11-14(12-10-13)22-17(20-21-18(22)23)15-7-4-5-8-16(15)19/h4-5,7-12H,2-3,6H2,1H3,(H,21,23)
InChIKey BBDAVOJGDYWMKH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30974
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: 1728167; SBI_ID: SBI-030978
Synonyms 4-(4-butylphenyl)-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C