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3-(benzylsulfanyl)-5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole

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3-(benzylsulfanyl)-5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID 51bZOwvtf5y
InChI InChI=1S/C16H14BrN3S/c1-20-15(13-7-9-14(17)10-8-13)18-19-16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey QYSKOVQMNNUSSM-UHFFFAOYSA-N
Mol Weight 360.27 g/mol
Molecular Formula C16H14BrN3S
Exact Mass 359.009182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKHjCXo1fxX
Name 3-(benzylsulfanyl)-5-(4-bromophenyl)-4-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/C16H14BrN3S/c1-20-15(13-7-9-14(17)10-8-13)18-19-16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey QYSKOVQMNNUSSM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6818
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: UZI/1267709; Labnumber: COL3545; UZI_ID: UZI-006820
Synonyms benzyl 5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 318 °C