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4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID 6TBQdNmFZ3W
InChI InChI=1S/C20H20BrN3OS/c1-3-12-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-16-6-8-17(21)9-7-16/h3-11H,1,12-14H2,2H3
InChIKey HTSOMEOPNHBHRH-UHFFFAOYSA-N
Mol Weight 430.36 g/mol
Molecular Formula C20H20BrN3OS
Exact Mass 429.051046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID t9xaNQYFqg
Name 4-allyl-3-[(4-bromobenzyl)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/C20H20BrN3OS/c1-3-12-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-16-6-8-17(21)9-7-16/h3-11H,1,12-14H2,2H3
InChIKey HTSOMEOPNHBHRH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11380
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: E06698; Labnumber: GRES-27853; SBI_ID: SBI-011383
Synonyms {4-allyl-5-[(4-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl 4-methylphenyl ether
Temperature 318 °C