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3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazole
SpectraBase Compound ID KsEmUQ8plQz
InChI InChI=1S/C18H18BrN3OS/c1-2-22-17(12-23-16-6-4-3-5-7-16)20-21-18(22)24-13-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3
InChIKey YWZKQPBYGWRMCQ-UHFFFAOYSA-N
Mol Weight 404.33 g/mol
Molecular Formula C18H18BrN3OS
Exact Mass 403.035396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9HvVcx8QAsK
Name 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-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/C18H18BrN3OS/c1-2-22-17(12-23-16-6-4-3-5-7-16)20-21-18(22)24-13-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3
InChIKey YWZKQPBYGWRMCQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11204
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: E06274; Labnumber: GRES-19486; SBI_ID: SBI-011207
Synonyms {5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl phenyl ether
Temperature 318 °C