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3-[(3-bromobenzyl)sulfanyl]-5-methyl-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID Ks3upqgfp9j
InChI InChI=1S/C16H14BrN3S/c1-12-18-19-16(20(12)15-8-3-2-4-9-15)21-11-13-6-5-7-14(17)10-13/h2-10H,11H2,1H3
InChIKey LWVHEXGFTXOEMR-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 FeQZ8tYGDP2
Name 3-[(3-bromobenzyl)sulfanyl]-5-methyl-4-phenyl-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/c1-12-18-19-16(20(12)15-8-3-2-4-9-15)21-11-13-6-5-7-14(17)10-13/h2-10H,11H2,1H3
InChIKey LWVHEXGFTXOEMR-UHFFFAOYSA-N
NMR Offset 14.4793
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15902
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/8050911; UBI_ID: UBI-015905
Synonyms 3-bromobenzyl 5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 313 °C