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3-[(3-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

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3-[(3-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 5xNeD4HgV67
InChI InChI=1S/C23H20BrN3O2S/c1-28-20-11-9-19(10-12-20)27-22(17-6-4-8-21(14-17)29-2)25-26-23(27)30-15-16-5-3-7-18(24)13-16/h3-14H,15H2,1-2H3
InChIKey QUYJHCDFXHHJBS-UHFFFAOYSA-N
Mol Weight 482.4 g/mol
Molecular Formula C23H20BrN3O2S
Exact Mass 481.045961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BY6aSySAE9N
Name 3-[(3-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-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/C23H20BrN3O2S/c1-28-20-11-9-19(10-12-20)27-22(17-6-4-8-21(14-17)29-2)25-26-23(27)30-15-16-5-3-7-18(24)13-16/h3-14H,15H2,1-2H3
InChIKey QUYJHCDFXHHJBS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11246
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: E06530; Labnumber: GRES-24212; SBI_ID: SBI-011249
Temperature 315 °C