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4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide

View entire compound with spectra: 1 NMR

4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID CmE92Q7fh99
InChI InChI=1S/C18H18BrN3O3S/c1-10-5-6-13(12(19)7-10)22-17(20-21-18(22)26)11-8-14(23-2)16(25-4)15(9-11)24-3/h5-9H,1-4H3,(H,21,26)
InChIKey QTFNESKTKVYUAF-UHFFFAOYSA-N
Mol Weight 436.32 g/mol
Molecular Formula C18H18BrN3O3S
Exact Mass 435.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AFJ2uCMDfyC
Name 4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C18H18BrN3O3S/c1-10-5-6-13(12(19)7-10)22-17(20-21-18(22)26)11-8-14(23-2)16(25-4)15(9-11)24-3/h5-9H,1-4H3,(H,21,26)
InChIKey QTFNESKTKVYUAF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2564
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: D03676; Labnumber: NCOBK-0438; SBI_ID: SBI-002566
Synonyms 4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C