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3,4-bis(4-chlorophenyl)-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole

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3,4-bis(4-chlorophenyl)-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID Dt12w8r910X
InChI InChI=1S/C21H14Cl2FN3S/c22-16-6-4-15(5-7-16)20-25-26-21(27(20)19-10-8-17(23)9-11-19)28-13-14-2-1-3-18(24)12-14/h1-12H,13H2
InChIKey HZSKSVYQIFJKJO-UHFFFAOYSA-N
Mol Weight 430.33 g/mol
Molecular Formula C21H14Cl2FN3S
Exact Mass 429.026952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EuSDOyvtpa
Name 3,4-bis(4-chlorophenyl)-5-[(3-fluorobenzyl)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/C21H14Cl2FN3S/c22-16-6-4-15(5-7-16)20-25-26-21(27(20)19-10-8-17(23)9-11-19)28-13-14-2-1-3-18(24)12-14/h1-12H,13H2
InChIKey HZSKSVYQIFJKJO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4066
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: D98504; Labnumber: GRES-22057; SBI_ID: SBI-004068
Synonyms 4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 3-fluorobenzyl sulfide
Temperature 318 °C