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3-{5-[(3,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
SpectraBase Compound ID Hn0Vb2KRLii
InChI InChI=1S/C20H14Cl2N4S/c21-17-9-8-14(11-18(17)22)13-27-20-25-24-19(15-5-4-10-23-12-15)26(20)16-6-2-1-3-7-16/h1-12H,13H2
InChIKey WSOOAHRWUTWXEN-UHFFFAOYSA-N
Mol Weight 413.33 g/mol
Molecular Formula C20H14Cl2N4S
Exact Mass 412.031623 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KryzqOYe6C3
Name 3-{5-[(3,4-dichlorobenzyl)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/C20H14Cl2N4S/c21-17-9-8-14(11-18(17)22)13-27-20-25-24-19(15-5-4-10-23-12-15)26(20)16-6-2-1-3-7-16/h1-12H,13H2
InChIKey WSOOAHRWUTWXEN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7880
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: D48978; Labnumber: MOR-8612; SBI_ID: SBI-007883
Synonyms 3,4-dichlorobenzyl 4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature 308 °C