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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Lw5ms26zWie
InChI InChI=1S/C12H9ClFN5S/c1-18-6-9(13)10(17-18)11-15-16-12(20)19(11)8-4-2-7(14)3-5-8/h2-6H,1H3,(H,16,20)
InChIKey DRFSWJGUMKFEGL-UHFFFAOYSA-N
Mol Weight 309.75 g/mol
Molecular Formula C12H9ClFN5S
Exact Mass 309.025122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2iDU0vzSPOF
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-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/C12H9ClFN5S/c1-18-6-9(13)10(17-18)11-15-16-12(20)19(11)8-4-2-7(14)3-5-8/h2-6H,1H3,(H,16,20)
InChIKey DRFSWJGUMKFEGL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14503
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: UZI/1018192; UBI_ID: UBI-014506
Synonyms 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C