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3-{5-[(4-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
SpectraBase Compound ID E5AD33hEVNt
InChI InChI=1S/C20H15ClN4S/c21-17-10-8-15(9-11-17)14-26-20-24-23-19(16-5-4-12-22-13-16)25(20)18-6-2-1-3-7-18/h1-13H,14H2
InChIKey VTBNIIYUBFVGCC-UHFFFAOYSA-N
Mol Weight 378.88 g/mol
Molecular Formula C20H15ClN4S
Exact Mass 378.070595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVjbezCY3B3
Name 3-{5-[(4-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
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/C20H15ClN4S/c21-17-10-8-15(9-11-17)14-26-20-24-23-19(16-5-4-12-22-13-16)25(20)18-6-2-1-3-7-18/h1-13H,14H2
InChIKey VTBNIIYUBFVGCC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11983
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: D59050; Labnumber: MOR-8611; SBI_ID: SBI-011986
Synonyms 4-chlorobenzyl 4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature 315 °C