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3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
SpectraBase Compound ID J9f06A5nndo
InChI InChI=1S/C20H22ClN3OS/c1-4-24-19(12-25-18-9-7-17(21)8-10-18)22-23-20(24)26-13-16-11-14(2)5-6-15(16)3/h5-11H,4,12-13H2,1-3H3
InChIKey ZSBBJUJUUSDEBZ-UHFFFAOYSA-N
Mol Weight 387.93 g/mol
Molecular Formula C20H22ClN3OS
Exact Mass 387.117211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJN3kVvUWCB
Name 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-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/C20H22ClN3OS/c1-4-24-19(12-25-18-9-7-17(21)8-10-18)22-23-20(24)26-13-16-11-14(2)5-6-15(16)3/h5-11H,4,12-13H2,1-3H3
InChIKey ZSBBJUJUUSDEBZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11198
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: E06262; Labnumber: GRES-19254; SBI_ID: SBI-011201
Synonyms 4-chlorophenyl {5-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl ether
Temperature 318 °C