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4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID 7cGhg6XxbIv
InChI InChI=1S/C20H19Cl2N3OS/c1-3-11-25-19(12-26-15-9-7-14(2)8-10-15)23-24-20(25)27-13-16-17(21)5-4-6-18(16)22/h3-10H,1,11-13H2,2H3
InChIKey XYMYDGHTOZQHCF-UHFFFAOYSA-N
Mol Weight 420.36 g/mol
Molecular Formula C20H19Cl2N3OS
Exact Mass 419.062589 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KcE5BliQNno
Name 4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-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/C20H19Cl2N3OS/c1-3-11-25-19(12-26-15-9-7-14(2)8-10-15)23-24-20(25)27-13-16-17(21)5-4-6-18(16)22/h3-10H,1,11-13H2,2H3
InChIKey XYMYDGHTOZQHCF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11280
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: E06578; Labnumber: GRES-25177; SBI_ID: SBI-011283
Synonyms {4-allyl-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl 4-methylphenyl ether
Temperature 308 °C