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4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-fluorobenzyl sulfide

View entire compound with spectra: 1 NMR

4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-fluorobenzyl sulfide
SpectraBase Compound ID 3ZR852GYGA
InChI InChI=1S/C21H14Cl2FN3S/c22-16-7-5-14(6-8-16)20-25-26-21(27(20)18-11-9-17(23)10-12-18)28-13-15-3-1-2-4-19(15)24/h1-12H,13H2
InChIKey GITLAAITKBRUQM-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 JWKCXoSqKP1
Name 4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-fluorobenzyl sulfide
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/c22-16-7-5-14(6-8-16)20-25-26-21(27(20)18-11-9-17(23)10-12-18)28-13-15-3-1-2-4-19(15)24/h1-12H,13H2
InChIKey GITLAAITKBRUQM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4920
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: E08368; Labnumber: GRES-36975; SBI_ID: SBI-004922
Synonyms 3,4-bis(4-chlorophenyl)-5-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 308 °C