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3-[(4-chlorophenoxy)methyl]-5-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID DYR0dQ7BJlQ
InChI InChI=1S/C23H18Cl3N3O2S/c1-30-18-9-5-17(6-10-18)29-22(13-31-19-7-3-16(24)4-8-19)27-28-23(29)32-14-15-2-11-20(25)21(26)12-15/h2-12H,13-14H2,1H3
InChIKey UUCILLJFLOPLRG-UHFFFAOYSA-N
Mol Weight 506.84 g/mol
Molecular Formula C23H18Cl3N3O2S
Exact Mass 505.018531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A10DqHB03ON
Name 3-[(4-chlorophenoxy)methyl]-5-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
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/C23H18Cl3N3O2S/c1-30-18-9-5-17(6-10-18)29-22(13-31-19-7-3-16(24)4-8-19)27-28-23(29)32-14-15-2-11-20(25)21(26)12-15/h2-12H,13-14H2,1H3
InChIKey UUCILLJFLOPLRG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4883
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: E08308; Labnumber: GRES-36904; SBI_ID: SBI-004885
Temperature 318 °C