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3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-methyl-5-phenyl-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR

3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-methyl-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 4VORuzvqjR8
InChI InChI=1S/C16H13ClFN3S/c1-21-15(11-6-3-2-4-7-11)19-20-16(21)22-10-12-13(17)8-5-9-14(12)18/h2-9H,10H2,1H3
InChIKey TVZZVOMVDSXALK-UHFFFAOYSA-N
Mol Weight 333.81 g/mol
Molecular Formula C16H13ClFN3S
Exact Mass 333.050274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Butqu3L6oPa
Name 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-methyl-5-phenyl-4H-1,2,4-triazole
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H13ClFN3S/c1-21-15(11-6-3-2-4-7-11)19-20-16(21)22-10-12-13(17)8-5-9-14(12)18/h2-9H,10H2,1H3
InChIKey TVZZVOMVDSXALK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4898
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: E08334; Labnumber: GRES-36937; SBI_ID: SBI-004900
Synonyms 2-chloro-6-fluorobenzyl 4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 318 °C