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5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID IyPO2mCwrIC
InChI InChI=1S/C17H13ClFN3S/c18-11-3-1-10(2-4-11)14-9-15(14)16-20-21-17(23)22(16)13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)
InChIKey WSPYYBNELOKGKD-UHFFFAOYSA-N
Mol Weight 345.82 g/mol
Molecular Formula C17H13ClFN3S
Exact Mass 345.050274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26fgTOnp9J9
Name 5-[2-(4-chlorophenyl)cyclopropyl]-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/C17H13ClFN3S/c18-11-3-1-10(2-4-11)14-9-15(14)16-20-21-17(23)22(16)13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)
InChIKey WSPYYBNELOKGKD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10594
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/1028461; Labnumber: KUZ0324; UZI_ID: UZI-010596
Synonyms 5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C