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4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole
SpectraBase Compound ID Cq7mjzbd8fN
InChI InChI=1S/C19H17Cl2N3OS/c1-2-11-24-18(12-25-14-7-4-3-5-8-14)22-23-19(24)26-13-15-16(20)9-6-10-17(15)21/h2-10H,1,11-13H2
InChIKey ZKEYTPGIMMZMQO-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 50ysj47q9w9
Name 4-allyl-3-[(2,6-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/c1-2-11-24-18(12-25-14-7-4-3-5-8-14)22-23-19(24)26-13-15-16(20)9-6-10-17(15)21/h2-10H,1,11-13H2
InChIKey ZKEYTPGIMMZMQO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11558
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: E06494; Labnumber: GRES-23474; SBI_ID: SBI-011561
Synonyms {4-allyl-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether
Temperature 318 °C