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4-allyl-3-[(2,4-dichlorobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole
SpectraBase Compound ID BXxDxhKFGF0
InChI InChI=1S/C19H17Cl2N3OS/c1-2-10-24-18(12-25-16-6-4-3-5-7-16)22-23-19(24)26-13-14-8-9-15(20)11-17(14)21/h2-9,11H,1,10,12-13H2
InChIKey IHCQJYWIXVFLQB-UHFFFAOYSA-N
Mol Weight 406.33 g/mol
Molecular Formula C19H17Cl2N3OS
Exact Mass 405.046939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 34G87oDobBo
Name 4-allyl-3-[(2,4-dichlorobenzyl)sulfanyl]-5-(phenoxymethyl)-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/C19H17Cl2N3OS/c1-2-10-24-18(12-25-16-6-4-3-5-7-16)22-23-19(24)26-13-14-8-9-15(20)11-17(14)21/h2-9,11H,1,10,12-13H2
InChIKey IHCQJYWIXVFLQB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11722
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: E08656; Labnumber: GRES-37317; SBI_ID: SBI-011725
Synonyms {4-allyl-5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether
Temperature 308 °C