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2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-pyridinyl)acetamide
SpectraBase Compound ID Lspxm56hxtp
InChI InChI=1S/C22H18ClN5O2S/c23-16-9-11-18(12-10-16)30-14-20-26-27-22(28(20)17-6-2-1-3-7-17)31-15-21(29)25-19-8-4-5-13-24-19/h1-13H,14-15H2,(H,24,25,29)
InChIKey HZOCVTOQROUSEL-UHFFFAOYSA-N
Mol Weight 451.93 g/mol
Molecular Formula C22H18ClN5O2S
Exact Mass 451.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xuNxhcuOO0
Name 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-pyridinyl)acetamide
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/C22H18ClN5O2S/c23-16-9-11-18(12-10-16)30-14-20-26-27-22(28(20)17-6-2-1-3-7-17)31-15-21(29)25-19-8-4-5-13-24-19/h1-13H,14-15H2,(H,24,25,29)
InChIKey HZOCVTOQROUSEL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16437
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: UZI/8117750; UBI_ID: UBI-016440
Temperature 308 °C